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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd5MgAl4 by Materials Project

MgNd5Al4 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. All Mg–Nd bond lengths are 3.35 Å. There are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Nd–Al bond lengths are 3.19 Å. In the second Nd site, Nd is bonded in a body-centered cubic geometry to eight Al atoms. There are four shorter (3.22 Å) and four longer (3.27 Å) Nd–Al bond lengths. In the third Nd site, Nd is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Nd–Al bond lengths are 3.23 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a body-centered cubic geometry to eight Nd atoms. In the second Al site, Al is bonded in a body-centered cubic geometry to eight Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaY2In by Materials Project

NaY2In is Heusler structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Y atoms. There are two shorter (3.71 Å) and six longer (3.73 Å) Na–Y bond lengths. Y is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent In atoms. There are one shorter (3.70 Å) and three longer (3.73 Å) Y–In bond lengths. In is bonded in a body-centered cubic geometry to eight equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Rates of Seasonal Fuel Loading Do Not Differ by Sex or Overwintering Strategy in Three Species of Bats

For temperate-zone mammals, seasonal changes in weather and food availability often govern energy allocation. In addition, energy allocation strategies usually differ between males and females. Bats are an interesting group in which to evaluate energetic trade-offs as they are highly mobile and lead energetically demanding lives in habitats across a variety of seasonally variable climates. We evaluated year-round changes in body mass and fuel load for three species of bats in northern California: Silver-haired Bat (Lasionycteris noctivagans), California Myotis (Myotis californicus), and Yuma Myotis (Myotis yumanensis). Silver-haired bats are considered migratory species with females likely migrating farther than males. The two species of myotis are considered residents. Body mass of all species peaked in late autumn and was at a minimum during spring. We calculated a fuel load index to normalize size difference between species and sexes. We used sex- and season-specific multiple linear regression models to evaluate rates of change in seasonal fuel loading. Rates of change in fuel load did not differ among species or sexes except for male silver-haired bats that increased fuel loads rapidly during summer. Interspecific comparisons provided valuable insights into the energy allocation and overwintering strategies of these species and are an important initial step toward understanding their ecology over the full annual cycle.

body condition↗
DOE OSTI2020

Materials Data on Ti8InCo3NiSn3 by Materials Project

Ti8Co3NiInSn3 is Heusler-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are eight inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to four Co and four Sn atoms. There are one shorter (2.68 Å) and three longer (2.75 Å) Ti–Co bond lengths. There are one shorter (2.75 Å) and three longer (2.77 Å) Ti–Sn bond lengths. In the second Ti site, Ti is bonded in a 8-coordinate geometry to three equivalent Co, one Ni, and four Sn atoms. All Ti–Co bond lengths are 2.82 Å. The Ti–Ni bond length is 3.17 Å. There are three shorter (2.76 Å) and one longer (2.80 Å) Ti–Sn bond lengths. In the third Ti site, Ti is bonded in a distorted body-centered cubic geometry to one Co, three equivalent Ni, three equivalent In, and one Sn atom. The Ti–Co bond length is 2.65 Å. All Ti–Ni bond lengths are 2.66 Å. All Ti–In bond lengths are 2.76 Å. The Ti–Sn bond length is 2.76 Å. In the fourth Ti site, Ti is bonded in a body-centered cubic geometry to four Co, one In, and three equivalent Sn atoms. There are three shorter (2.82 Å) and one longer (2.86 Å) Ti–Co bond lengths. The Ti–In bond length is 2.81 Å. All Ti–Sn bond lengths are 2.79 Å. In the fifth Ti site, Ti is bonded in a body-centered cubic geometry to four Co and four Sn atoms. There are one shorter (2.69 Å) and three longer (2.75 Å) Ti–Co bond lengths. There are three shorter (2.77 Å) and one longer (2.78 Å) Ti–Sn bond lengths. In the sixth Ti site, Ti is bonded in a distorted body-centered cubic geometry to one Co, three equivalent Ni, one In, and three equivalent Sn atoms. The Ti–Co bond length is 2.77 Å. All Ti–Ni bond lengths are 2.99 Å. The Ti–In bond length is 2.81 Å. All Ti–Sn bond lengths are 2.75 Å. In the seventh Ti site, Ti is bonded in a distorted body-centered cubic geometry to three equivalent Co, one Ni, three equivalent In, and one Sn atom. All Ti–Co bond lengths are 2.72 Å. The Ti–Ni bond length is 2.37 Å. All Ti–In bond lengths are 2.80 Å. The Ti–Sn bond length is 2.76 Å. In the eighth Ti site, Ti is bonded in a body-centered cubic geometry to four Co and four Sn atoms. There are three shorter (2.81 Å) and one longer (2.88 Å) Ti–Co bond lengths. There are three shorter (2.76 Å) and one longer (2.80 Å) Ti–Sn bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted body-centered cubic geometry to eight Ti and three equivalent In atoms. All Co–In bond lengths are 3.16 Å. In the second Co site, Co is bonded in a distorted body-centered cubic geometry to eight Ti atoms. In the third Co site, Co is bonded in a distorted body-centered cubic geometry to eight Ti atoms. Ni is bonded in a 1-coordinate geometry to eight Ti and three equivalent In atoms. All Ni–In bond lengths are 2.95 Å. In is bonded in a 8-coordinate geometry to eight Ti, three equivalent Co, and three equivalent Ni atoms. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a body-centered cubic geometry to eight Ti atoms. In the second Sn site, Sn is bonded in a body-centered cubic geometry to eight Ti atoms. In the third Sn site, Sn is bonded in a body-centered cubic geometry to eight Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn2NiSb2Pt by Materials Project

Mn2PtNiSb2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a 4-coordinate geometry to three equivalent Pt2- and four Sb2- atoms. All Mn–Pt bond lengths are 3.06 Å. There are one shorter (2.60 Å) and three longer (2.62 Å) Mn–Sb bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 4-coordinate geometry to three equivalent Pt2- and four Sb2- atoms. All Mn–Pt bond lengths are 3.05 Å. There are three shorter (2.69 Å) and one longer (2.72 Å) Mn–Sb bond lengths. Pt2- is bonded in a 10-coordinate geometry to six Mn2+ and four Sb2- atoms. There are three shorter (2.69 Å) and one longer (2.71 Å) Pt–Sb bond lengths. Ni2+ is bonded to four Sb2- atoms to form corner-sharing NiSb4 tetrahedra. There are one shorter (2.57 Å) and three longer (2.63 Å) Ni–Sb bond lengths. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a body-centered cubic geometry to four Mn2+, one Pt2-, and three equivalent Ni2+ atoms. In the second Sb2- site, Sb2- is bonded in a body-centered cubic geometry to four Mn2+, three equivalent Pt2-, and one Ni2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YOF by Materials Project

YOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are three shorter (2.28 Å) and one longer (2.29 Å) Y–O bond lengths. There are three shorter (2.46 Å) and one longer (2.47 Å) Y–F bond lengths. O2- is bonded to four equivalent Y3+ atoms to form distorted OY4 tetrahedra that share corners with six equivalent OY4 tetrahedra, corners with ten equivalent FY4 tetrahedra, edges with three equivalent OY4 tetrahedra, and edges with three equivalent FY4 tetrahedra. F1- is bonded to four equivalent Y3+ atoms to form distorted FY4 tetrahedra that share corners with six equivalent FY4 tetrahedra, corners with ten equivalent OY4 tetrahedra, edges with three equivalent OY4 tetrahedra, and edges with three equivalent FY4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmCdAg2 by Materials Project

TmAg2Cd is Heusler structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. There are two shorter (2.99 Å) and six longer (3.01 Å) Tm–Ag bond lengths. Ag is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Cd atoms. There are one shorter (2.99 Å) and three longer (3.01 Å) Ag–Cd bond lengths. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaInHg2 by Materials Project

CaHg2In is Heusler structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Hg and six equivalent In atoms. There are two shorter (3.16 Å) and six longer (3.23 Å) Ca–Hg bond lengths. All Ca–In bond lengths are 3.71 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent In atoms. There are one shorter (3.17 Å) and three longer (3.23 Å) Hg–In bond lengths. In is bonded in a distorted body-centered cubic geometry to six equivalent Ca and eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbTlHg2 by Materials Project

YbHg2Tl is Heusler structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. There are two shorter (3.17 Å) and six longer (3.25 Å) Yb–Hg bond lengths. Hg is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Tl atoms. There are one shorter (3.18 Å) and three longer (3.24 Å) Hg–Tl bond lengths. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Weak Transitions in Light Nuclei

Nuclei are used for high-precision tests of the Standard Model and for studies of physics beyond the Standard Model. Without a thorough understanding of nuclei, we will not be able to meaningfully interpret the growing body of experimental data nor will we be able to disentangle new physics signals from underlying nuclear effects. This calls for accurate calculations of nuclear structure and reactions. In this work, we focus on electroweak decays in nuclei with mass number A ≤ 10 and report on ab initio Quantum Monte Carlo calculations of reduced matrix elements entering beta decays and electron captures in nuclei with mass number A ≤ 10. The many-body wave functions are calculated using selected Norfolk two- and three-nucleon potential models and associated one- and two-body axial currents at tree-level obtained from a chiral effective field theory with pions, nucleons, and Δ. The agreement with the experimental data is satisfactory except for transitions in A = 8 nuclei. In this specific case, the theory significantly underpredicts the experimental data, which indicates the need of further improvements in the corresponding nuclear wave functions. In this study, emphasis is placed on the contributions of two-body axial currents that are carefully analyzed using two-body transition densities. This allow us to study the spatial distribution and short-range behavior of two-body dynamics. In particular, the transition densities when scaled to peak at 1.0 exhibit universal short-range behavior across the considered nuclei, while they differ in the long-range tails.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Materials Data on ThInAg2 by Materials Project

ThAg2In is Heusler structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Th is bonded in a distorted body-centered cubic geometry to eight equivalent Ag and six equivalent In atoms. There are a spread of Th–Ag bond distances ranging from 3.13–3.17 Å. There are two shorter (3.61 Å) and four longer (3.65 Å) Th–In bond lengths. Ag is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent In atoms. There are three shorter (3.14 Å) and one longer (3.17 Å) Ag–In bond lengths. In is bonded in a distorted body-centered cubic geometry to six equivalent Th and eight equivalent Ag atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti8In4CoNi3 by Materials Project

Ti8CoNi3In4 is Heusler-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are eight inequivalent Ti sites. In the first Ti site, Ti is bonded in a body-centered cubic geometry to four Ni and four In atoms. There are one shorter (2.78 Å) and three longer (2.79 Å) Ti–Ni bond lengths. There are one shorter (2.78 Å) and three longer (2.79 Å) Ti–In bond lengths. In the second Ti site, Ti is bonded in a body-centered cubic geometry to four Ni and four equivalent In atoms. There are one shorter (2.77 Å) and three longer (2.80 Å) Ti–Ni bond lengths. There are one shorter (2.79 Å) and three longer (2.80 Å) Ti–In bond lengths. In the third Ti site, Ti is bonded in a body-centered cubic geometry to one Co, three equivalent Ni, and four In atoms. The Ti–Co bond length is 2.75 Å. All Ti–Ni bond lengths are 2.80 Å. All Ti–In bond lengths are 2.79 Å. In the fourth Ti site, Ti is bonded in a body-centered cubic geometry to three equivalent Co, one Ni, and four equivalent In atoms. All Ti–Co bond lengths are 2.79 Å. The Ti–Ni bond length is 2.78 Å. There are one shorter (2.76 Å) and three longer (2.79 Å) Ti–In bond lengths. In the fifth Ti site, Ti is bonded in a body-centered cubic geometry to three equivalent Co, one Ni, and four equivalent In atoms. All Ti–Co bond lengths are 2.79 Å. The Ti–Ni bond length is 2.78 Å. There are one shorter (2.76 Å) and three longer (2.79 Å) Ti–In bond lengths. In the sixth Ti site, Ti is bonded in a body-centered cubic geometry to four Ni and four equivalent In atoms. There are one shorter (2.77 Å) and three longer (2.80 Å) Ti–Ni bond lengths. There are one shorter (2.79 Å) and three longer (2.80 Å) Ti–In bond lengths. In the seventh Ti site, Ti is bonded in a body-centered cubic geometry to four Ni and four equivalent In atoms. There are one shorter (2.77 Å) and three longer (2.80 Å) Ti–Ni bond lengths. There are one shorter (2.79 Å) and three longer (2.80 Å) Ti–In bond lengths. In the eighth Ti site, Ti is bonded in a body-centered cubic geometry to three equivalent Co, one Ni, and four equivalent In atoms. All Ti–Co bond lengths are 2.79 Å. The Ti–Ni bond length is 2.78 Å. There are one shorter (2.76 Å) and three longer (2.79 Å) Ti–In bond lengths. Co is bonded in a body-centered cubic geometry to eight Ti atoms. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a body-centered cubic geometry to eight Ti atoms. In the second Ni site, Ni is bonded in a body-centered cubic geometry to eight Ti atoms. There are two inequivalent In sites. In the first In site, In is bonded in a body-centered cubic geometry to eight Ti atoms. In the second In site, In is bonded in a body-centered cubic geometry to eight Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnIn2W by Materials Project

WMnIn2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. W is bonded in a distorted body-centered cubic geometry to four equivalent Mn and ten In atoms. There are three shorter (2.86 Å) and one longer (2.88 Å) W–Mn bond lengths. There are a spread of W–In bond distances ranging from 2.86–3.33 Å. Mn is bonded in a distorted body-centered cubic geometry to four equivalent W and four equivalent In atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Mn–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent W and four equivalent In atoms to form distorted edge-sharing InIn4W4 tetrahedra. There are two shorter (2.86 Å) and two longer (2.87 Å) In–In bond lengths. In the second In site, In is bonded in a 4-coordinate geometry to six equivalent W, four equivalent Mn, and four equivalent In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YTm3(SnPd2)4 by Materials Project

Tm3Y(Pd2Sn)4 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a body-centered cubic geometry to eight Pd and six Sn atoms. There are a spread of Tm–Pd bond distances ranging from 2.89–2.94 Å. All Tm–Sn bond lengths are 3.38 Å. In the second Tm site, Tm is bonded in a body-centered cubic geometry to eight Pd and six equivalent Sn atoms. There are two shorter (2.91 Å) and six longer (2.94 Å) Tm–Pd bond lengths. All Tm–Sn bond lengths are 3.38 Å. Y is bonded in a body-centered cubic geometry to eight Pd and six equivalent Sn atoms. All Y–Pd bond lengths are 2.94 Å. All Y–Sn bond lengths are 3.39 Å. There are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a body-centered cubic geometry to four Tm and four equivalent Sn atoms. There are one shorter (2.92 Å) and three longer (2.94 Å) Pd–Tm bond lengths. There are one shorter (2.91 Å) and three longer (2.94 Å) Pd–Sn bond lengths. In the second Pd site, Pd is bonded in a body-centered cubic geometry to one Tm, three equivalent Y, and four equivalent Sn atoms. The Pd–Tm bond length is 2.89 Å. All Pd–Y bond lengths are 2.94 Å. There are three shorter (2.93 Å) and one longer (2.94 Å) Pd–Sn bond lengths. In the third Pd site, Pd is bonded in a body-centered cubic geometry to four Tm and four equivalent Sn atoms. There are one shorter (2.92 Å) and three longer (2.94 Å) Pd–Tm bond lengths. There are one shorter (2.91 Å) and three longer (2.94 Å) Pd–Sn bond lengths. In the fourth Pd site, Pd is bonded in a body-centered cubic geometry to four Tm and four Sn atoms. All Pd–Tm bond lengths are 2.94 Å. There are one shorter (2.91 Å) and three longer (2.94 Å) Pd–Sn bond lengths. In the fifth Pd site, Pd is bonded in a body-centered cubic geometry to four Tm and four equivalent Sn atoms. There are one shorter (2.91 Å) and three longer (2.94 Å) Pd–Sn bond lengths. In the sixth Pd site, Pd is bonded in a body-centered cubic geometry to one Tm, three equivalent Y, and four equivalent Sn atoms. There are three shorter (2.93 Å) and one longer (2.94 Å) Pd–Sn bond lengths. In the seventh Pd site, Pd is bonded in a body-centered cubic geometry to three equivalent Tm, one Y, and four Sn atoms. There are one shorter (2.89 Å) and three longer (2.94 Å) Pd–Sn bond lengths. In the eighth Pd site, Pd is bonded in a body-centered cubic geometry to four Tm and four Sn atoms. There are one shorter (2.91 Å) and three longer (2.94 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted body-centered cubic geometry to six Tm and eight Pd atoms. In the second Sn site, Sn is bonded in a distorted body-centered cubic geometry to three equivalent Tm, three equivalent Y, and eight Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Y(InAu2)4 by Materials Project

Ce3Y(Au2In)4 is Heusler-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a body-centered cubic geometry to eight Au atoms. There are a spread of Ce–Au bond distances ranging from 3.06–3.11 Å. In the second Ce site, Ce is bonded in a body-centered cubic geometry to eight Au atoms. There are two shorter (3.07 Å) and six longer (3.08 Å) Ce–Au bond lengths. Y is bonded in a body-centered cubic geometry to eight Au atoms. There are two shorter (3.03 Å) and six longer (3.06 Å) Y–Au bond lengths. There are eight inequivalent Au sites. In the first Au site, Au is bonded in a body-centered cubic geometry to four Ce and four equivalent In atoms. There are one shorter (3.06 Å) and three longer (3.08 Å) Au–Ce bond lengths. There are one shorter (2.95 Å) and three longer (3.13 Å) Au–In bond lengths. In the second Au site, Au is bonded in a body-centered cubic geometry to one Ce, three equivalent Y, and four equivalent In atoms. The Au–Ce bond length is 3.11 Å. All Au–Y bond lengths are 3.06 Å. There are one shorter (2.86 Å) and three longer (3.15 Å) Au–In bond lengths. In the third Au site, Au is bonded in a body-centered cubic geometry to four Ce and four equivalent In atoms. There are one shorter (3.06 Å) and three longer (3.08 Å) Au–Ce bond lengths. There are one shorter (2.95 Å) and three longer (3.13 Å) Au–In bond lengths. In the fourth Au site, Au is bonded in a body-centered cubic geometry to four Ce and four equivalent In atoms. There are one shorter (2.95 Å) and three longer (3.13 Å) Au–In bond lengths. In the fifth Au site, Au is bonded in a body-centered cubic geometry to four Ce and four In atoms. All Au–Ce bond lengths are 3.08 Å. There are one shorter (2.90 Å) and three longer (3.12 Å) Au–In bond lengths. In the sixth Au site, Au is bonded in a body-centered cubic geometry to one Ce, three equivalent Y, and four equivalent In atoms. There are one shorter (2.86 Å) and three longer (3.15 Å) Au–In bond lengths. In the seventh Au site, Au is bonded in a body-centered cubic geometry to three equivalent Ce, one Y, and four In atoms. There are one shorter (2.92 Å) and three longer (3.11 Å) Au–In bond lengths. In the eighth Au site, Au is bonded in a body-centered cubic geometry to four Ce and four In atoms. There are one shorter (2.90 Å) and three longer (3.12 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a distorted body-centered cubic geometry to eight Au atoms. In the second In site, In is bonded in a distorted body-centered cubic geometry to eight Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Analytic_Deflection_of_Asteroids_by_NEDs

This package evaluates an analytic formula for the change in velocity imparted to an asteroid by a 1 or 2 keV black body source given the radius of the asteroid, the standoff distance, the x-ray yield, the density of the asteroid, and the fit coefficients for the 1 or 2 keV black body source (provided in the module). Three variations of the formula are given; the "original" form, the "modified" form that accounts for the angle of incidence in calculating the melt depth, and a form based on an "impulse" model. Each formula is fit to simulations of spherical asteroids of uniform composition illuminated by black body x-rays.

Managan, RobertA↗
DOE OSTI2020

Materials Data on Bi3Pd5 by Materials Project

Pd5Bi3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted body-centered cubic geometry to five Pd and three equivalent Bi atoms. There are a spread of Pd–Pd bond distances ranging from 2.64–2.83 Å. All Pd–Bi bond lengths are 2.74 Å. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two Pd and six Bi atoms. The Pd–Pd bond length is 2.89 Å. There are three shorter (2.85 Å) and three longer (2.95 Å) Pd–Bi bond lengths. In the third Pd site, Pd is bonded in a 12-coordinate geometry to six equivalent Pd atoms. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six equivalent Pd atoms. In the second Bi site, Bi is bonded in a 6-coordinate geometry to six Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe13Ge3 by Materials Project

Fe13Ge3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to five Fe and three Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.50 Å. All Fe–Ge bond lengths are 2.49 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. Both Fe–Fe bond lengths are 2.86 Å. All Fe–Ge bond lengths are 2.87 Å. In the third Fe site, Fe is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. All Fe–Fe bond lengths are 2.87 Å. In the fourth Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Fe–Ge bond lengths. In the fifth Fe site, Fe is bonded in a 8-coordinate geometry to ten Fe and four Ge atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Fe–Ge bond lengths. In the sixth Fe site, Fe is bonded in a 8-coordinate geometry to eight equivalent Fe and six Ge atoms. There are two shorter (2.86 Å) and four longer (2.87 Å) Fe–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. In the third Ge site, Ge is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms.

36 MATERIALS SCIENCE↗