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Materials Data on CsAc3 by Materials Project

CsAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs is bonded to twelve Ac atoms to form CsAc12 cuboctahedra that share corners with six equivalent CsAc12 cuboctahedra, corners with twelve AcCs4Ac8 cuboctahedra, edges with eighteen AcCs4Ac8 cuboctahedra, faces with eight equivalent CsAc12 cuboctahedra, and faces with twelve AcCs4Ac8 cuboctahedra. There are six shorter (4.15 Å) and six longer (4.22 Å) Cs–Ac bond lengths. There are three inequivalent Ac sites. In the first Ac site, Ac is bonded to four equivalent Cs and eight Ac atoms to form distorted AcCs4Ac8 cuboctahedra that share corners with four equivalent CsAc12 cuboctahedra, corners with fourteen equivalent AcCs4Ac8 cuboctahedra, edges with six equivalent CsAc12 cuboctahedra, edges with twelve AcCs4Ac8 cuboctahedra, faces with four equivalent CsAc12 cuboctahedra, and faces with sixteen AcCs4Ac8 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 4.02–4.40 Å. In the second Ac site, Ac is bonded to four equivalent Cs and eight Ac atoms to form distorted AcCs4Ac8 cuboctahedra that share corners with four equivalent CsAc12 cuboctahedra, corners with fourteen AcCs4Ac8 cuboctahedra, edges with six equivalent CsAc12 cuboctahedra, edges with twelve AcCs4Ac8 cuboctahedra, faces with four equivalent CsAc12 cuboctahedra, and faces with sixteen AcCs4Ac8 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 4.02–4.40 Å. In the third Ac site, Ac is bonded to four equivalent Cs and eight Ac atoms to form distorted AcCs4Ac8 cuboctahedra that share corners with four equivalent CsAc12 cuboctahedra, corners with fourteen AcCs4Ac8 cuboctahedra, edges with six equivalent CsAc12 cuboctahedra, edges with twelve AcCs4Ac8 cuboctahedra, faces with four equivalent CsAc12 cuboctahedra, and faces with sixteen AcCs4Ac8 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on SrAc3 by Materials Project

SrAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to twelve Ac atoms to form SrAc12 cuboctahedra that share corners with six equivalent SrAc12 cuboctahedra, corners with twelve AcSr4Ac8 cuboctahedra, edges with eighteen AcSr4Ac8 cuboctahedra, faces with eight equivalent SrAc12 cuboctahedra, and faces with twelve AcSr4Ac8 cuboctahedra. There are six shorter (4.05 Å) and six longer (4.07 Å) Sr–Ac bond lengths. There are three inequivalent Ac sites. In the first Ac site, Ac is bonded to four equivalent Sr and eight Ac atoms to form AcSr4Ac8 cuboctahedra that share corners with four equivalent SrAc12 cuboctahedra, corners with fourteen AcSr4Ac8 cuboctahedra, edges with six equivalent SrAc12 cuboctahedra, edges with twelve AcSr4Ac8 cuboctahedra, faces with four equivalent SrAc12 cuboctahedra, and faces with sixteen AcSr4Ac8 cuboctahedra. There are six shorter (4.01 Å) and two longer (4.14 Å) Ac–Ac bond lengths. In the second Ac site, Ac is bonded to four equivalent Sr and eight equivalent Ac atoms to form AcSr4Ac8 cuboctahedra that share corners with four equivalent SrAc12 cuboctahedra, corners with fourteen AcSr4Ac8 cuboctahedra, edges with six equivalent SrAc12 cuboctahedra, edges with twelve equivalent AcSr4Ac8 cuboctahedra, faces with four equivalent SrAc12 cuboctahedra, and faces with sixteen AcSr4Ac8 cuboctahedra. In the third Ac site, Ac is bonded to four equivalent Sr and eight equivalent Ac atoms to form AcSr4Ac8 cuboctahedra that share corners with four equivalent SrAc12 cuboctahedra, corners with fourteen AcSr4Ac8 cuboctahedra, edges with six equivalent SrAc12 cuboctahedra, edges with twelve equivalent AcSr4Ac8 cuboctahedra, faces with four equivalent SrAc12 cuboctahedra, and faces with sixteen AcSr4Ac8 cuboctahedra.

36 MATERIALS SCIENCE↗

Development of 225Ac-doped biocompatible nanoparticles for targeted alpha therapy

Abstract Targeted alpha therapy (TAT) relies on chemical affinity or active targeting using radioimmunoconjugates as strategies to deliver α-emitting radionuclides to cancerous tissue. These strategies can be affected by transmetalation of the parent radionuclide by competing ions in vivo and the bond-breaking recoil energy of decay daughters. The retention of α-emitting radionuclides and the dose delivered to cancer cells are influenced by these processes. Encapsulating α-emitting radionuclides within nanoparticles can help overcome many of these challenges. Poly(lactic- co -glycolic acid) (PLGA) nanoparticles are a biodegradable and biocompatible delivery platform that has been used for drug delivery. In this study, PLGA nanoparticles are utilized for encapsulation and retention of actinium-225 ([ 225 Ac]Ac 3+ ). Encapsulation of [ 225 Ac]Ac 3+ within PLGA nanoparticles (Z ave = 155.3 nm) was achieved by adapting a double-emulsion solvent evaporation method. The encapsulation efficiency was affected by both the solvent conditions and the chelation of [ 225 Ac]Ac 3+ . Chelation of [ 225 Ac]Ac 3+ to a lipophilic 2,9-bis-lactam-1,10-phenanthroline ligand ([ 225 Ac]AcBLPhen) significantly decreased its release (< 2%) and that of its decay daughters (< 50%) from PLGA nanoparticles. PLGA nanoparticles encapsulating [ 225 Ac]AcBLPhen significantly increased the delivery of [ 225 Ac]Ac 3+ to murine (E0771) and human (MCF-7 and MDA-MB-231) breast cancer cells with a concomitant increase in cell death over free [ 225 Ac]Ac 3+ in solution. These results demonstrate that PLGA nanoparticles have potential as radionuclide delivery platforms for TAT to advance precision radiotherapy for cancer. In addition, this technology offers an alternative use for ligands with poor aqueous solubility, low stability, or low affinity, allowing them to be repurposed for TAT by encapsulation within PLGA nanoparticles. Graphical Abstract

60 APPLIED LIFE SCIENCES↗

Autonomous System Inference, Trojan, and Adversarial Reprogramming Attack and Defense (Final)

In the world of ever-advancing technology, Autonomous Systems (AS) find extensive application, bolstering functionalities of critical infrastructures such as nuclear power plants. These systems, however, are increasingly becoming a target for nefarious activities, namely through inference attacks, trojan attacks, and adversarial reprogramming. This paper delves into a comprehensive exploration of machine learning (ML)-driven autonomous control systems within advanced nuclear reactor designs, revealing the vulnerabilities and proposing strategies for defense against potential cyber-attacks. Advanced cyber-attacks against critical infrastructure and the energy sector are becoming more common. With the invention of autonomous control systems (ACS) within advanced nuclear reactor designs, system designers, reactor operators, and regulators must consider cybersecurity during the design and operational phases. This article provides a cyber threat assessment of machine learning (ML)- based digital twinning (DT) technologies in the context of advanced reactor ACS. A cyber-physical testbed was created to emulate nuclear reactor digital instrumentation and controls (I&C) and act as a basis for the ACS. The ACS was designed as two plant-level DTs predicting reactor malfunctions and determining control actions and two component-level DTs responsible for classifying component states and forecasting component inputs and outputs (I/O). Two duplicate ACS designs– one using a traditional ML framework and one using an automated ML (AutoML) framework– were created and tested against cyber-attacks on training data, real-time process data, and ML model architectures to determine their respective qualitative cyber-risk in terms of likelihood and impact. Both frameworks showed similar cyber-resilience against training, real-time, and ML architecture attacks, proving that neither is inherently more secure. Recommended safeguard and security measures are posed to system designers, reactor operators, and regulators to maintain the cybersecurity of ML-based DT technologies such as ACS, prompting a holistic view of shared responsibility for maintaining cyber-secure ML-based systems. As global reliance on generation III reactors begins to be critically assessed, the evolution towards advanced reactor systems utilizing digital instrumentation and controls (I&C) becomes not merely preferable, but essential. The integration of semi and fully autonomous control systems (ACS), powered by digital I&C and machine learning (ML)-based digital twinning (DT) technologies, emerges as a potent strategy to mitigate operations and maintenance costs, thereby enhancing the economic feasibility of novel reactor designs. However, with a staggering 500% and 380% increase in cyber-attacks reported against the energy sector by the United States Department of Energy (DoE) and the European Union respectively, a surge in cyber vulnerabilities specifically targeting the nuclear industry has been 2 markedly observed. Notable incidents, such as the W32.Ramnit spyware infiltration at the Gundremmingen nuclear power plant in Germany and the Dtrack spyware intrusion at the Kudankulam nuclear power plant in India, while not directly compromising core industrial control systems (ICS), underscore a compelling necessity to fortify cybersecurity protocols in safeguarding reactor systems against increasingly adept digital adversaries. In light of this, our investigation extends beyond conventional cybersecurity parameters, diving into the intricate web of potential vulnerabilities woven into ML-based DTs and ACS in advanced reactor systems. A crafted cyber-physical testbed and preliminary ACS were devised to act as a mirror, reflecting potential configurations of advanced reactor control designs. Moreover, this study is intertwined with a scrutinization of ML models, developed either through conventional, manually tuned methodologies or via automated means through AutoML, probing into their cyber-risk profiles within operational technology (OT) environments. Expanding on this, two distinct ACS blueprints were forged – one navigating through the corridors of traditional ML and the other traversing the path of AutoML – in an effort to holistically encapsulate the considerations pivotal to ML-based DT control system design. Employing the SANS Institute Industrial Control System (ICS) Kill Chain and the MITRE ATT&CK Tactics, Techniques, and Procedures (TTP) framework, a structured analysis was conducted, launching three targeted attacks against the training dataset, real-time dataset, and ML models, therein dissecting the potential cyber-attack implications against both ML frameworks within an ACS milieu. It is essential to note that three distinct categories of attacks were conducted against both ACS configurations, each encompassing three distinct ML-based DTs, cumulating in a total of 18 varied attacks. This exploration extends into the realms of Autonomous System Inference, Trojan, and Adversarial Reprogramming Attack and Defense, unraveling vulnerabilities, and opportunities for fortified defenses against such intrusions, particularly where ML-driven technologies, and by extension, ACS, are deployed. Final recommendations, articulated through a lens of security, safeguard, and implementation considerations, are presented for both traditional and AutoML models, anchoring upon the existing knowledge landscape and ML-based DT modeling for ACS, and are offered as a beacon to guide the nuclear industry through the intricate cybersecurity challenges that lie ahead.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Materials Data on SrAc3 by Materials Project

SrAc3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve Ac atoms to form SrAc12 cuboctahedra that share corners with four equivalent SrAc12 cuboctahedra, corners with eight equivalent AcSr4Ac8 cuboctahedra, edges with eight equivalent SrAc12 cuboctahedra, edges with sixteen equivalent AcSr4Ac8 cuboctahedra, faces with four equivalent SrAc12 cuboctahedra, and faces with fourteen AcSr4Ac8 cuboctahedra. There are eight shorter (4.04 Å) and four longer (4.06 Å) Sr–Ac bond lengths. There are two inequivalent Ac sites. In the first Ac site, Ac is bonded to four equivalent Sr and eight equivalent Ac atoms to form AcSr4Ac8 cuboctahedra that share corners with four equivalent AcSr4Ac8 cuboctahedra, corners with eight equivalent SrAc12 cuboctahedra, edges with twenty-four AcSr4Ac8 cuboctahedra, faces with six equivalent SrAc12 cuboctahedra, and faces with twelve AcSr4Ac8 cuboctahedra. All Ac–Ac bond lengths are 4.04 Å. In the second Ac site, Ac is bonded to four equivalent Sr and eight Ac atoms to form AcSr4Ac8 cuboctahedra that share corners with twelve equivalent AcSr4Ac8 cuboctahedra, edges with eight equivalent SrAc12 cuboctahedra, edges with sixteen AcSr4Ac8 cuboctahedra, faces with four equivalent SrAc12 cuboctahedra, and faces with fourteen AcSr4Ac8 cuboctahedra. All Ac–Ac bond lengths are 4.06 Å.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Dy by Materials Project

Ac3Dy is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Dy atoms to form AcAc8Dy4 cuboctahedra that share corners with twelve equivalent AcAc8Dy4 cuboctahedra, edges with eight equivalent DyAc12 cuboctahedra, edges with sixteen AcAc8Dy4 cuboctahedra, faces with four equivalent DyAc12 cuboctahedra, and faces with fourteen AcAc8Dy4 cuboctahedra. There are four shorter (3.89 Å) and four longer (3.90 Å) Ac–Ac bond lengths. All Ac–Dy bond lengths are 3.89 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Dy atoms to form AcAc8Dy4 cuboctahedra that share corners with four equivalent AcAc8Dy4 cuboctahedra, corners with eight equivalent DyAc12 cuboctahedra, edges with twenty-four AcAc8Dy4 cuboctahedra, faces with six equivalent DyAc12 cuboctahedra, and faces with twelve AcAc8Dy4 cuboctahedra. All Ac–Dy bond lengths are 3.90 Å. Dy is bonded to twelve Ac atoms to form DyAc12 cuboctahedra that share corners with four equivalent DyAc12 cuboctahedra, corners with eight equivalent AcAc8Dy4 cuboctahedra, edges with eight equivalent DyAc12 cuboctahedra, edges with sixteen equivalent AcAc8Dy4 cuboctahedra, faces with four equivalent DyAc12 cuboctahedra, and faces with fourteen AcAc8Dy4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Ce by Materials Project

Ac3Ce is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Ce atoms to form AcAc8Ce4 cuboctahedra that share corners with twelve equivalent AcAc8Ce4 cuboctahedra, edges with eight equivalent CeAc12 cuboctahedra, edges with sixteen AcAc8Ce4 cuboctahedra, faces with four equivalent CeAc12 cuboctahedra, and faces with fourteen AcAc8Ce4 cuboctahedra. There are four shorter (3.73 Å) and four longer (3.74 Å) Ac–Ac bond lengths. All Ac–Ce bond lengths are 3.73 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Ce atoms to form AcAc8Ce4 cuboctahedra that share corners with four equivalent AcAc8Ce4 cuboctahedra, corners with eight equivalent CeAc12 cuboctahedra, edges with twenty-four AcAc8Ce4 cuboctahedra, faces with six equivalent CeAc12 cuboctahedra, and faces with twelve AcAc8Ce4 cuboctahedra. All Ac–Ce bond lengths are 3.74 Å. Ce is bonded to twelve Ac atoms to form CeAc12 cuboctahedra that share corners with four equivalent CeAc12 cuboctahedra, corners with eight equivalent AcAc8Ce4 cuboctahedra, edges with eight equivalent CeAc12 cuboctahedra, edges with sixteen equivalent AcAc8Ce4 cuboctahedra, faces with four equivalent CeAc12 cuboctahedra, and faces with fourteen AcAc8Ce4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Tm by Materials Project

Ac3Tm is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Tm atoms to form AcAc8Tm4 cuboctahedra that share corners with twelve equivalent AcAc8Tm4 cuboctahedra, edges with eight equivalent TmAc12 cuboctahedra, edges with sixteen AcAc8Tm4 cuboctahedra, faces with four equivalent TmAc12 cuboctahedra, and faces with fourteen AcAc8Tm4 cuboctahedra. There are four shorter (3.86 Å) and four longer (3.88 Å) Ac–Ac bond lengths. All Ac–Tm bond lengths are 3.86 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Tm atoms to form AcAc8Tm4 cuboctahedra that share corners with four equivalent AcAc8Tm4 cuboctahedra, corners with eight equivalent TmAc12 cuboctahedra, edges with twenty-four AcAc8Tm4 cuboctahedra, faces with six equivalent TmAc12 cuboctahedra, and faces with twelve AcAc8Tm4 cuboctahedra. All Ac–Tm bond lengths are 3.88 Å. Tm is bonded to twelve Ac atoms to form TmAc12 cuboctahedra that share corners with four equivalent TmAc12 cuboctahedra, corners with eight equivalent AcAc8Tm4 cuboctahedra, edges with eight equivalent TmAc12 cuboctahedra, edges with sixteen equivalent AcAc8Tm4 cuboctahedra, faces with four equivalent TmAc12 cuboctahedra, and faces with fourteen AcAc8Tm4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Cd by Materials Project

Ac3Cd is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Cd atoms to form distorted AcAc8Cd4 cuboctahedra that share corners with twelve equivalent AcAc8Cd4 cuboctahedra, edges with eight equivalent AcAc8Cd4 cuboctahedra, edges with eight equivalent CdAc12 cuboctahedra, faces with four equivalent CdAc12 cuboctahedra, and faces with ten equivalent AcAc8Cd4 cuboctahedra. There are four shorter (3.71 Å) and four longer (3.85 Å) Ac–Ac bond lengths. All Ac–Cd bond lengths are 3.85 Å. In the second Ac site, Ac is bonded in a distorted square co-planar geometry to eight equivalent Ac and four equivalent Cd atoms. All Ac–Cd bond lengths are 3.71 Å. Cd is bonded to twelve Ac atoms to form CdAc12 cuboctahedra that share corners with four equivalent CdAc12 cuboctahedra, edges with eight equivalent CdAc12 cuboctahedra, edges with sixteen equivalent AcAc8Cd4 cuboctahedra, faces with four equivalent CdAc12 cuboctahedra, and faces with eight equivalent AcAc8Cd4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Lu by Materials Project

Ac3Lu is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Lu atoms to form AcAc8Lu4 cuboctahedra that share corners with twelve equivalent AcAc8Lu4 cuboctahedra, edges with eight equivalent LuAc12 cuboctahedra, edges with sixteen AcAc8Lu4 cuboctahedra, faces with four equivalent LuAc12 cuboctahedra, and faces with fourteen AcAc8Lu4 cuboctahedra. All Ac–Ac bond lengths are 3.87 Å. All Ac–Lu bond lengths are 3.87 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Lu atoms to form AcAc8Lu4 cuboctahedra that share corners with four equivalent AcAc8Lu4 cuboctahedra, corners with eight equivalent LuAc12 cuboctahedra, edges with twenty-four AcAc8Lu4 cuboctahedra, faces with six equivalent LuAc12 cuboctahedra, and faces with twelve AcAc8Lu4 cuboctahedra. All Ac–Lu bond lengths are 3.87 Å. Lu is bonded to twelve Ac atoms to form LuAc12 cuboctahedra that share corners with four equivalent LuAc12 cuboctahedra, corners with eight equivalent AcAc8Lu4 cuboctahedra, edges with eight equivalent LuAc12 cuboctahedra, edges with sixteen equivalent AcAc8Lu4 cuboctahedra, faces with four equivalent LuAc12 cuboctahedra, and faces with fourteen AcAc8Lu4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Ti by Materials Project

Ac3Ti is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Ti atoms to form distorted AcAc8Ti4 cuboctahedra that share corners with twelve equivalent AcAc8Ti4 cuboctahedra, edges with eight equivalent TiAc12 cuboctahedra, edges with sixteen AcAc8Ti4 cuboctahedra, faces with four equivalent TiAc12 cuboctahedra, and faces with fourteen AcAc8Ti4 cuboctahedra. There are four shorter (3.71 Å) and four longer (3.74 Å) Ac–Ac bond lengths. All Ac–Ti bond lengths are 3.74 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Ti atoms to form distorted AcAc8Ti4 cuboctahedra that share corners with four equivalent AcAc8Ti4 cuboctahedra, corners with eight equivalent TiAc12 cuboctahedra, edges with twenty-four AcAc8Ti4 cuboctahedra, faces with six equivalent TiAc12 cuboctahedra, and faces with twelve AcAc8Ti4 cuboctahedra. All Ac–Ti bond lengths are 3.71 Å. Ti is bonded to twelve Ac atoms to form TiAc12 cuboctahedra that share corners with four equivalent TiAc12 cuboctahedra, corners with eight equivalent AcAc8Ti4 cuboctahedra, edges with eight equivalent TiAc12 cuboctahedra, edges with sixteen equivalent AcAc8Ti4 cuboctahedra, faces with four equivalent TiAc12 cuboctahedra, and faces with fourteen AcAc8Ti4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3V by Materials Project

Ac3V is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent V atoms to form distorted AcAc8V4 cuboctahedra that share corners with twelve equivalent AcAc8V4 cuboctahedra, edges with eight equivalent AcAc8V4 cuboctahedra, edges with eight equivalent VAc12 cuboctahedra, faces with four equivalent VAc12 cuboctahedra, and faces with ten equivalent AcAc8V4 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.76 Å) Ac–Ac bond lengths. All Ac–V bond lengths are 3.76 Å. In the second Ac site, Ac is bonded in a distorted square co-planar geometry to eight equivalent Ac and four equivalent V atoms. All Ac–V bond lengths are 3.67 Å. V is bonded to twelve Ac atoms to form VAc12 cuboctahedra that share corners with four equivalent VAc12 cuboctahedra, edges with eight equivalent VAc12 cuboctahedra, edges with sixteen equivalent AcAc8V4 cuboctahedra, faces with four equivalent VAc12 cuboctahedra, and faces with eight equivalent AcAc8V4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Ag by Materials Project

Ac3Ag is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Ag atoms to form distorted AcAc8Ag4 cuboctahedra that share corners with twelve equivalent AcAc8Ag4 cuboctahedra, edges with eight equivalent AcAc8Ag4 cuboctahedra, edges with eight equivalent AgAc12 cuboctahedra, faces with four equivalent AgAc12 cuboctahedra, and faces with ten equivalent AcAc8Ag4 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.81 Å) Ac–Ac bond lengths. All Ac–Ag bond lengths are 3.81 Å. In the second Ac site, Ac is bonded in a distorted square co-planar geometry to eight equivalent Ac and four equivalent Ag atoms. All Ac–Ag bond lengths are 3.68 Å. Ag is bonded to twelve Ac atoms to form AgAc12 cuboctahedra that share corners with four equivalent AgAc12 cuboctahedra, edges with eight equivalent AgAc12 cuboctahedra, edges with sixteen equivalent AcAc8Ag4 cuboctahedra, faces with four equivalent AgAc12 cuboctahedra, and faces with eight equivalent AcAc8Ag4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Zn by Materials Project

Ac3Zn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Zn atoms to form distorted AcAc8Zn4 cuboctahedra that share corners with twelve equivalent AcAc8Zn4 cuboctahedra, edges with eight equivalent AcAc8Zn4 cuboctahedra, edges with eight equivalent ZnAc12 cuboctahedra, faces with four equivalent ZnAc12 cuboctahedra, and faces with ten equivalent AcAc8Zn4 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.79 Å) Ac–Ac bond lengths. All Ac–Zn bond lengths are 3.79 Å. In the second Ac site, Ac is bonded in a distorted square co-planar geometry to eight equivalent Ac and four equivalent Zn atoms. All Ac–Zn bond lengths are 3.64 Å. Zn is bonded to twelve Ac atoms to form ZnAc12 cuboctahedra that share corners with four equivalent ZnAc12 cuboctahedra, edges with eight equivalent ZnAc12 cuboctahedra, edges with sixteen equivalent AcAc8Zn4 cuboctahedra, faces with four equivalent ZnAc12 cuboctahedra, and faces with eight equivalent AcAc8Zn4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Yb by Materials Project

Ac3Yb is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Yb atoms to form AcAc8Yb4 cuboctahedra that share corners with twelve equivalent AcAc8Yb4 cuboctahedra, edges with eight equivalent YbAc12 cuboctahedra, edges with sixteen AcAc8Yb4 cuboctahedra, faces with four equivalent YbAc12 cuboctahedra, and faces with fourteen AcAc8Yb4 cuboctahedra. There are four shorter (3.93 Å) and four longer (3.96 Å) Ac–Ac bond lengths. All Ac–Yb bond lengths are 3.96 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Yb atoms to form AcAc8Yb4 cuboctahedra that share corners with four equivalent AcAc8Yb4 cuboctahedra, corners with eight equivalent YbAc12 cuboctahedra, edges with twenty-four AcAc8Yb4 cuboctahedra, faces with six equivalent YbAc12 cuboctahedra, and faces with twelve AcAc8Yb4 cuboctahedra. All Ac–Yb bond lengths are 3.93 Å. Yb is bonded to twelve Ac atoms to form YbAc12 cuboctahedra that share corners with four equivalent YbAc12 cuboctahedra, corners with eight equivalent AcAc8Yb4 cuboctahedra, edges with eight equivalent YbAc12 cuboctahedra, edges with sixteen equivalent AcAc8Yb4 cuboctahedra, faces with four equivalent YbAc12 cuboctahedra, and faces with fourteen AcAc8Yb4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Y by Materials Project

Ac3Y is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Y atoms to form AcAc8Y4 cuboctahedra that share corners with twelve equivalent AcAc8Y4 cuboctahedra, edges with eight equivalent YAc12 cuboctahedra, edges with sixteen AcAc8Y4 cuboctahedra, faces with four equivalent YAc12 cuboctahedra, and faces with fourteen AcAc8Y4 cuboctahedra. All Ac–Ac bond lengths are 3.90 Å. All Ac–Y bond lengths are 3.90 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Y atoms to form AcAc8Y4 cuboctahedra that share corners with four equivalent AcAc8Y4 cuboctahedra, corners with eight equivalent YAc12 cuboctahedra, edges with twenty-four AcAc8Y4 cuboctahedra, faces with six equivalent YAc12 cuboctahedra, and faces with twelve AcAc8Y4 cuboctahedra. All Ac–Y bond lengths are 3.90 Å. Y is bonded to twelve Ac atoms to form YAc12 cuboctahedra that share corners with four equivalent YAc12 cuboctahedra, corners with eight equivalent AcAc8Y4 cuboctahedra, edges with eight equivalent YAc12 cuboctahedra, edges with sixteen equivalent AcAc8Y4 cuboctahedra, faces with four equivalent YAc12 cuboctahedra, and faces with fourteen AcAc8Y4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Nb by Materials Project

Ac3Nb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Nb atoms to form distorted AcAc8Nb4 cuboctahedra that share corners with twelve equivalent AcAc8Nb4 cuboctahedra, edges with eight equivalent NbAc12 cuboctahedra, edges with sixteen AcAc8Nb4 cuboctahedra, faces with four equivalent NbAc12 cuboctahedra, and faces with fourteen AcAc8Nb4 cuboctahedra. There are four shorter (3.66 Å) and four longer (3.71 Å) Ac–Ac bond lengths. All Ac–Nb bond lengths are 3.71 Å. In the second Ac site, Ac is bonded to eight equivalent Ac and four equivalent Nb atoms to form distorted AcAc8Nb4 cuboctahedra that share corners with four equivalent AcAc8Nb4 cuboctahedra, corners with eight equivalent NbAc12 cuboctahedra, edges with twenty-four AcAc8Nb4 cuboctahedra, faces with six equivalent NbAc12 cuboctahedra, and faces with twelve AcAc8Nb4 cuboctahedra. All Ac–Nb bond lengths are 3.66 Å. Nb is bonded to twelve Ac atoms to form NbAc12 cuboctahedra that share corners with four equivalent NbAc12 cuboctahedra, corners with eight equivalent AcAc8Nb4 cuboctahedra, edges with eight equivalent NbAc12 cuboctahedra, edges with sixteen equivalent AcAc8Nb4 cuboctahedra, faces with four equivalent NbAc12 cuboctahedra, and faces with fourteen AcAc8Nb4 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Ac3Mo by Materials Project

Ac3Mo is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ac sites. In the first Ac site, Ac is bonded to eight Ac and four equivalent Mo atoms to form distorted AcAc8Mo4 cuboctahedra that share corners with twelve equivalent AcAc8Mo4 cuboctahedra, edges with eight equivalent AcAc8Mo4 cuboctahedra, edges with eight equivalent MoAc12 cuboctahedra, faces with four equivalent MoAc12 cuboctahedra, and faces with ten equivalent AcAc8Mo4 cuboctahedra. There are four shorter (3.57 Å) and four longer (3.70 Å) Ac–Ac bond lengths. All Ac–Mo bond lengths are 3.70 Å. In the second Ac site, Ac is bonded in a square co-planar geometry to eight equivalent Ac and four equivalent Mo atoms. All Ac–Mo bond lengths are 3.57 Å. Mo is bonded to twelve Ac atoms to form MoAc12 cuboctahedra that share corners with four equivalent MoAc12 cuboctahedra, edges with eight equivalent MoAc12 cuboctahedra, edges with sixteen equivalent AcAc8Mo4 cuboctahedra, faces with four equivalent MoAc12 cuboctahedra, and faces with eight equivalent AcAc8Mo4 cuboctahedra.

36 MATERIALS SCIENCE↗