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At least 1,585 records · Page 88
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DOE OSTI2020

Materials Data on La2MgSe4 by Materials Project

MgLa2Se4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent Se2- atoms. All Mg–Se bond lengths are 2.77 Å. La3+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of La–Se bond distances ranging from 2.94–3.40 Å. Se2- is bonded in a 5-coordinate geometry to one Mg2+ and four equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2MgS4 by Materials Project

MgLa2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Mg–S bond lengths are 2.65 Å. La3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of La–S bond distances ranging from 2.82–3.27 Å. S2- is bonded in a 5-coordinate geometry to one Mg2+ and four equivalent La3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2MgS4 by Materials Project

MgPr2S4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent S2- atoms. All Mg–S bond lengths are 2.64 Å. Pr3+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are a spread of Pr–S bond distances ranging from 2.80–3.22 Å. S2- is bonded in a 5-coordinate geometry to one Mg2+ and four equivalent Pr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2MgSe4 by Materials Project

MgEu2Se4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent Se2- atoms. All Mg–Se bond lengths are 2.71 Å. Eu3+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of Eu–Se bond distances ranging from 2.95–3.23 Å. Se2- is bonded in a 5-coordinate geometry to one Mg2+ and four equivalent Eu3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2MgSe4 by Materials Project

MgPr2Se4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded in a distorted square co-planar geometry to four equivalent Se2- atoms. All Mg–Se bond lengths are 2.76 Å. Pr3+ is bonded in a 8-coordinate geometry to eight equivalent Se2- atoms. There are a spread of Pr–Se bond distances ranging from 2.92–3.35 Å. Se2- is bonded in a 5-coordinate geometry to one Mg2+ and four equivalent Pr3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuBi2(SeO3)4 by Materials Project

CuBi2(SeO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Cu–O bond length. Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.28–2.72 Å. There are two inequivalent Se4+ sites. In the first Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. In the second Se4+ site, Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.77 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Bi3+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Bi3+ and one Se4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Bi3+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Bi3+ and one Se4+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu2+ and one Se4+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Cu2+, one Bi3+, and one Se4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlAu3 by Materials Project

Au3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Au+0.33- is bonded in a distorted square co-planar geometry to four equivalent Tl1+ atoms. All Au–Tl bond lengths are 3.06 Å. Tl1+ is bonded to twelve equivalent Au+0.33- atoms to form a mixture of corner and face-sharing TlAu12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Space-Time Structured Plasma Waves

Electrostatic waves play a critical role in nearly every branch of plasma physics from fusion to advanced accelerators, to astro, solar, and ionospheric physics. The properties of planar electrostatic waves are fully determined by the plasma conditions, such as density, temperature, ionization state, or details of the distribution functions. Furthermore we demonstrate that electrostatic wave packets structured with space-time correlations can have properties that are independent of the plasma conditions. For instance, an appropriately structured electrostatic wave packet can travel at any group velocity, even backward with respect to its phase fronts, while maintaining a localized energy density. These linear, propagation-invariant wave packets can be constructed with or without orbital angular momentum by superposing natural modes of the plasma and can be ponderomotively excited by space-time structured laser pulses like the flying focus.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Materials Data on KBa4Bi3O by Materials Project

KBa4Bi3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K is bonded in a square co-planar geometry to four equivalent Bi atoms. All K–Bi bond lengths are 3.64 Å. Ba is bonded in a single-bond geometry to five Bi and one O atom. There are a spread of Ba–Bi bond distances ranging from 3.66–3.92 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to two equivalent K, six equivalent Ba, and one Bi atom. The Bi–Bi bond length is 3.11 Å. In the second Bi site, Bi is bonded in a 10-coordinate geometry to eight equivalent Ba atoms. O is bonded in a tetrahedral geometry to four equivalent Ba atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuB2(PbO3)2 by Materials Project

Pb2CuB2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.95 Å) and two longer (1.99 Å) Cu–O bond length. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.45–2.91 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one B3+ and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+, one B3+, and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+, one B3+, and two equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag3PO4 by Materials Project

Ag3PO4 crystallizes in the cubic P-43n space group. The structure is three-dimensional. Ag1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.42 Å. P5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All P–O bond lengths are 1.57 Å. O2- is bonded to three equivalent Ag1+ and one P5+ atom to form distorted corner-sharing OAg3P tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ag2PdCl4 by Materials Project

PdAg2Cl4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Pd2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.33 Å) and two longer (2.34 Å) Pd–Cl bond lengths. Ag1+ is bonded to six Cl1- atoms to form a mixture of distorted edge and corner-sharing AgCl6 octahedra. The corner-sharing octahedra tilt angles range from 7–35°. There are a spread of Ag–Cl bond distances ranging from 2.65–3.12 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to one Pd2+ and two equivalent Ag1+ atoms. In the second Cl1- site, Cl1- is bonded to one Pd2+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing ClAg4Pd square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlPd3O4 by Materials Project

TlPd3O4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a square co-planar geometry to two equivalent Tl and four equivalent O atoms. Both Pd–Tl bond lengths are 3.45 Å. All Pd–O bond lengths are 2.04 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to twelve equivalent Pd atoms to form TlPd12 cuboctahedra that share corners with twelve equivalent TlPd12 cuboctahedra and edges with twenty-four equivalent OTlPd3 tetrahedra. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Tl–O bond lengths are 2.39 Å. O is bonded to three equivalent Pd and one Tl atom to form OTlPd3 tetrahedra that share corners with ten equivalent OTlPd3 tetrahedra, edges with three equivalent TlPd12 cuboctahedra, and edges with three equivalent OTlPd3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2MgPd2 by Materials Project

Tb2Pd2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Pd atoms. All Mg–Pd bond lengths are 3.00 Å. Tb is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are two shorter (2.89 Å) and four longer (3.02 Å) Tb–Pd bond lengths. Pd is bonded in a 8-coordinate geometry to two equivalent Mg and six equivalent Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2MgPd2 by Materials Project

Sm2Pd2Mg crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a distorted square co-planar geometry to four equivalent Pd atoms. All Mg–Pd bond lengths are 3.07 Å. Sm is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are two shorter (2.93 Å) and four longer (3.07 Å) Sm–Pd bond lengths. Pd is bonded in a 9-coordinate geometry to two equivalent Mg and six equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeZn2Fe by Materials Project

CeFeZn2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded in a distorted square co-planar geometry to four equivalent Fe and eight equivalent Zn atoms. All Ce–Fe bond lengths are 2.60 Å. All Ce–Zn bond lengths are 3.12 Å. Fe is bonded in a square co-planar geometry to four equivalent Ce and eight equivalent Zn atoms. All Fe–Zn bond lengths are 3.12 Å. Zn is bonded to four equivalent Ce, four equivalent Fe, and four equivalent Zn atoms to form a mixture of corner, edge, and face-sharing ZnCe4Zn4Fe4 cuboctahedra. All Zn–Zn bond lengths are 2.60 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Atomic faulting induced exceptional cryogenic strain hardening in gradient cell–structured alloy

Coarse-grained materials are widely accepted to display the highest strain hardening and the best tensile ductility. We experimentally report an attractive strain hardening rate throughout the deformation stage at 77 kelvin in a stable single-phase alloy with gradient dislocation cells that even surpasses its coarse-grained counterparts. Contrary to conventional understanding, the exceptional strain hardening arises from a distinctive dynamic structural refinement mechanism facilitated by the emission and motion of massive multiorientational tiny stacking faults (planar defects), which are fundamentally distinct from the traditional linear dislocation–mediated deformation. In conclusion, the dominance of atomic-scale planar deformation faulting in plastic deformation introduces a different approach for strengthening and hardening metallic materials, offering promising properties and potential applications.

Gradient dislocation structure↗
DOE OSTI2020

Materials Data on KBa4Sb3O by Materials Project

KBa4Sb3O crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. K1+ is bonded in a square co-planar geometry to four equivalent Sb+2.33- atoms. All K–Sb bond lengths are 3.59 Å. Ba2+ is bonded in a single-bond geometry to five Sb+2.33- and one O2- atom. There are a spread of Ba–Sb bond distances ranging from 3.59–3.87 Å. The Ba–O bond length is 2.57 Å. There are two inequivalent Sb+2.33- sites. In the first Sb+2.33- site, Sb+2.33- is bonded in a 9-coordinate geometry to two equivalent K1+, six equivalent Ba2+, and one Sb+2.33- atom. The Sb–Sb bond length is 2.93 Å. In the second Sb+2.33- site, Sb+2.33- is bonded in a 8-coordinate geometry to eight equivalent Ba2+ atoms. O2- is bonded in a tetrahedral geometry to four equivalent Ba2+ atoms.

36 MATERIALS SCIENCE↗