cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1751309
title: Materials Data on V4SnO12 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751310
title: Materials Data on CeGaAg by Materials Project

description: CeAgGa crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Ga atoms. There are a spread of Ce–Ag bond distances ranging from 3.13–3.39 Å. There are a spread of Ce–Ga bond distances ranging from 3.20–3.36 Å. Ag is bonded in a 10-coordinate geometry to six equivalent Ce, one Ag, and three equivalent Ga atoms. The Ag–Ag bond length is 2.83 Å. There are two shorter (2.69 Å) and one longer (2.94 Å) Ag–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to six equivalent Ce, three equivalent Ag, and one Ga atom. The Ga–Ga bond length is 2.56 Å.
DOI: 10.17188/1751311
title: Materials Data on SiS4 by Materials Project

description: SiS4 crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two SiS4 clusters. Si4+ is bonded in a tetrahedral geometry to four S1- atoms. There are a spread of Si–S bond distances ranging from 2.14–2.16 Å. There are three inequivalent S1- sites. In the first S1- site, S1- is bonded in a distorted single-bond geometry to one Si4+ atom. In the second S1- site, S1- is bonded in a distorted single-bond geometry to one Si4+ atom. In the third S1- site, S1- is bonded in a distorted single-bond geometry to one Si4+ atom.
DOI: 10.17188/1751312
title: Materials Data on Pr2MgSe4 by Materials Project

description: 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.
DOI: 10.17188/1751313
title: Materials Data on Cr2HgS4 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751314
title: Materials Data on Pu4Rh by Materials Project

description: Pu4Rh is Iron carbide-like structured and crystallizes in the cubic Fd-3m space group. The structure is zero-dimensional and consists of eight Pu4Rh clusters. Pu is bonded in a single-bond geometry to one Rh atom. The Pu–Rh bond length is 2.57 Å. Rh is bonded in a tetrahedral geometry to four equivalent Pu atoms.
DOI: 10.17188/1751315
title: Materials Data on C by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751316
title: Materials Data on GdY(WO4)3 by Materials Project

description: GdY(WO4)3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.34–2.50 Å. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.48 Å. There are four inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.12 Å. In the second W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.12 Å. In the third W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) W–O bond length. In the fourth W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) W–O bond length. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Gd3+, one Y3+, and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Gd3+, one Y3+, and one W6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Gd3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Gd3+, one Y3+, and one W6+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Gd3+, one Y3+, and one W6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Gd3+ and two W6+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Y3+ and two W6+ atoms. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one W6+ atom. In the twelfth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Y3+ and one W6+ atom.
DOI: 10.17188/1751317
title: Materials Data on Li3NbN2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751319
title: Materials Data on CsCoCuF6 by Materials Project

description: CsCoCuF6 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Cs1+ is bonded to six F1- atoms to form CsF6 octahedra that share corners with six equivalent CoF6 octahedra and corners with six equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 68–70°. There are a spread of Cs–F bond distances ranging from 3.15–3.20 Å. Co3+ is bonded to six F1- atoms to form CoF6 octahedra that share corners with two equivalent CoF6 octahedra, corners with four equivalent CuF6 octahedra, and corners with six equivalent CsF6 octahedra. The corner-sharing octahedra tilt angles range from 43–68°. There is two shorter (1.96 Å) and four longer (1.98 Å) Co–F bond length. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with two equivalent CuF6 octahedra, corners with four equivalent CoF6 octahedra, and corners with six equivalent CsF6 octahedra. The corner-sharing octahedra tilt angles range from 42–70°. There is four shorter (1.96 Å) and two longer (2.00 Å) Cu–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and two equivalent Co3+ atoms. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+ and two equivalent Cu2+ atoms. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Cs1+, one Co3+, and one Cu2+ atom.
DOI: 10.17188/1751320
title: Materials Data on HfGeO2 by Materials Project

description: HfO2(Ge) crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Hf is bonded to six equivalent O atoms to form distorted edge-sharing HfO6 octahedra. There are a spread of Hf–O bond distances ranging from 2.14–2.26 Å. Ge is bonded in a distorted square co-planar geometry to four equivalent O atoms. There are two shorter (2.48 Å) and two longer (2.58 Å) Ge–O bond lengths. O is bonded in a 5-coordinate geometry to three equivalent Hf and two equivalent Ge atoms.
DOI: 10.17188/1751321
title: Materials Data on K2NiH8(CO5)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751322
title: Materials Data on Sr2CaWO6 by Materials Project

description: Sr2CaWO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.61 Å) and four longer (2.92 Å) Sr–O bond lengths. Ca2+ is bonded to six O2- atoms to form CaO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. There are two shorter (2.27 Å) and four longer (2.31 Å) Ca–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. All W–O bond lengths are 1.96 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Ca2+, and one W6+ atom to form a mixture of distorted edge and corner-sharing OSr2CaW tetrahedra. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ca2+, and one W6+ atom.
DOI: 10.17188/1751323
title: Materials Data on Ho2Ge5Ru3 by Materials Project

description: Ho2Ru3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to six Ru and ten Ge atoms. There are four shorter (3.20 Å) and two longer (3.47 Å) Ho–Ru bond lengths. There are a spread of Ho–Ge bond distances ranging from 2.97–3.47 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to four equivalent Ho and six Ge atoms. There are four shorter (2.51 Å) and two longer (2.60 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four equivalent Ho and five Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.42–2.51 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to four equivalent Ho and four equivalent Ru atoms. In the second Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Ho, three Ru, and four Ge atoms. There are two shorter (2.70 Å) and two longer (2.88 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 6-coordinate geometry to four equivalent Ho, three Ru, and two equivalent Ge atoms.
DOI: 10.17188/1751324
title: Materials Data on K3V(SO)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751325
title: Materials Data on Zn7P10 by Materials Project

description: Zn7P10 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. there are four inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four P+1.40- atoms to form ZnP4 tetrahedra that share corners with three PZn2P2 tetrahedra, corners with seven ZnP4 tetrahedra, corners with two equivalent PZn3P2 trigonal bipyramids, and a cornercorner with one ZnP4 trigonal pyramid. There are a spread of Zn–P bond distances ranging from 2.40–2.51 Å. In the second Zn2+ site, Zn2+ is bonded to four P+1.40- atoms to form ZnP4 tetrahedra that share corners with two PZn2P2 tetrahedra, corners with nine ZnP4 tetrahedra, a cornercorner with one PZn3P2 trigonal bipyramid, and an edgeedge with one ZnP4 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.41–2.70 Å. In the third Zn2+ site, Zn2+ is bonded to four P+1.40- atoms to form distorted ZnP4 trigonal pyramids that share corners with four ZnP4 tetrahedra, corners with four PZn2P2 tetrahedra, and corners with two equivalent PZn3P2 trigonal bipyramids. There are two shorter (2.44 Å) and two longer (2.45 Å) Zn–P bond lengths. In the fourth Zn2+ site, Zn2+ is bonded to four P+1.40- atoms to form distorted ZnP4 tetrahedra that share corners with two equivalent PZn2P2 tetrahedra, corners with eight ZnP4 tetrahedra, a cornercorner with one ZnP4 trigonal pyramid, and an edgeedge with one ZnP4 tetrahedra. There are a spread of Zn–P bond distances ranging from 2.36–2.75 Å. There are five inequivalent P+1.40- sites. In the first P+1.40- site, P+1.40- is bonded to two Zn2+ and two P+1.40- atoms to form distorted PZn2P2 tetrahedra that share a cornercorner with one PZn2P2 tetrahedra, corners with three ZnP4 tetrahedra, corners with five PZn3P2 trigonal bipyramids, and a cornercorner with one ZnP4 trigonal pyramid. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+1.40- site, P+1.40- is bonded to three Zn2+ and two P+1.40- atoms to form distorted PZn3P2 trigonal bipyramids that share corners with three ZnP4 tetrahedra, corners with five PZn2P2 tetrahedra, corners with three equivalent PZn5 trigonal bipyramids, a cornercorner with one ZnP4 trigonal pyramid, and an edgeedge with one PZn5 trigonal bipyramid. There are one shorter (2.19 Å) and one longer (2.22 Å) P–P bond lengths. In the third P+1.40- site, P+1.40- is bonded to two Zn2+ and two P+1.40- atoms to form distorted PZn2P2 tetrahedra that share corners with four ZnP4 tetrahedra, corners with five PZn3P2 trigonal bipyramids, and a cornercorner with one ZnP4 trigonal pyramid. In the fourth P+1.40- site, P+1.40- is bonded to five Zn2+ atoms to form distorted PZn5 trigonal bipyramids that share corners with five PZn2P2 tetrahedra, corners with seven PZn3P2 trigonal bipyramids, and an edgeedge with one PZn3P2 trigonal bipyramid. In the fifth P+1.40- site, P+1.40- is bonded in a 4-coordinate geometry to two Zn2+ and two P+1.40- atoms.
DOI: 10.17188/1751326
title: Materials Data on NaGeN by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751327
title: Materials Data on Nd4GaSbS9 by Materials Project

description: Nd4GaSbS9 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are four inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Nd–S bond distances ranging from 2.80–3.11 Å. In the second Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Nd–S bond distances ranging from 2.80–2.95 Å. In the third Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Nd–S bond distances ranging from 2.79–2.94 Å. In the fourth Nd3+ site, Nd3+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Nd–S bond distances ranging from 2.79–2.90 Å. Ga3+ is bonded to four S2- atoms to form corner-sharing GaS4 tetrahedra. There are a spread of Ga–S bond distances ranging from 2.30–2.35 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are a spread of Sb–S bond distances ranging from 2.48–2.85 Å. There are ten inequivalent S2- sites. In the first S2- site, S2- is bonded in a bent 120 degrees geometry to two equivalent Ga3+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to two Nd3+ and one Ga3+ atom. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Nd3+ atoms. In the fourth S2- site, S2- is bonded to four Nd3+ atoms to form a mixture of distorted edge and corner-sharing SNd4 trigonal pyramids. In the fifth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Nd3+ atoms. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Nd3+ and one Sb3+ atom. In the seventh S2- site, S2- is bonded to four Nd3+ atoms to form a mixture of distorted edge and corner-sharing SNd4 trigonal pyramids. In the eighth S2- site, S2- is bonded in a 3-coordinate geometry to one Nd3+ and two equivalent Sb3+ atoms. In the ninth S2- site, S2- is bonded in a 4-coordinate geometry to two Nd3+, one Ga3+, and one Sb3+ atom. In the tenth S2- site, S2- is bonded in a 4-coordinate geometry to three Nd3+ and one Ga3+ atom.
DOI: 10.17188/1751328
title: Materials Data on MnPd3 by Materials Project

description: Pd3Mn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to six equivalent Pd atoms. All Mn–Pd bond lengths are 2.63 Å. There are five inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Mn and three equivalent Pd atoms. All Pd–Pd bond lengths are 2.85 Å. In the second Pd site, Pd is bonded to twelve Pd atoms to form a mixture of edge, corner, and face-sharing PdPd12 cuboctahedra. All Pd–Pd bond lengths are 2.85 Å. In the third Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Mn and three equivalent Pd atoms. All Pd–Mn bond lengths are 2.63 Å. All Pd–Pd bond lengths are 2.85 Å. In the fourth Pd site, Pd is bonded to sixteen Pd atoms to form a mixture of edge, corner, and face-sharing PdPd16 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.85–5.69 Å. In the fifth Pd site, Pd is bonded in a 12-coordinate geometry to three equivalent Mn and three equivalent Pd atoms. All Pd–Mn bond lengths are 2.63 Å.
DOI: 10.17188/1751329
title: Materials Data on Ti3VSn2(PO4)6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751331
title: Materials Data on Fe5(OF4)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1751332
title: Materials Data on Y2Ni17 by Materials Project

description: Y2Ni17 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to eighteen Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.90–3.22 Å. In the second Y site, Y is bonded in a 2-coordinate geometry to twenty Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.83–3.11 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Y and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.36–2.69 Å. In the second Ni site, Ni is bonded to two equivalent Y and ten Ni atoms to form NiY2Ni10 cuboctahedra that share corners with fourteen NiY2Ni10 cuboctahedra, edges with six NiY3Ni9 cuboctahedra, and faces with ten NiY2Ni10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.40 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to two equivalent Y and ten Ni atoms to form NiY2Ni10 cuboctahedra that share corners with fourteen NiY2Ni10 cuboctahedra, edges with six NiY3Ni9 cuboctahedra, and faces with ten NiY2Ni10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.40 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to two Y and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.51 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to two Y and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.35–2.51 Å. In the sixth Ni site, Ni is bonded in a 12-coordinate geometry to two Y and ten Ni atoms. There are two shorter (2.49 Å) and two longer (2.51 Å) Ni–Ni bond lengths. In the seventh Ni site, Ni is bonded to three Y and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiY3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.39 Å. In the eighth Ni site, Ni is bonded to three Y and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiY3Ni9 cuboctahedra.
DOI: 10.17188/1751333
title: Materials Data on CrFe11Si4 by Materials Project

description: Fe11CrSi4 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to eight Fe atoms. There are two shorter (2.39 Å) and six longer (2.41 Å) Cr–Fe bond lengths. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to four Fe and four Si atoms. There are three shorter (2.41 Å) and one longer (2.43 Å) Fe–Fe bond lengths. There are one shorter (2.40 Å) and three longer (2.42 Å) Fe–Si bond lengths. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to four Fe and four equivalent Si atoms. There are one shorter (2.40 Å) and three longer (2.42 Å) Fe–Fe bond lengths. All Fe–Si bond lengths are 2.42 Å. In the third Fe site, Fe is bonded in a distorted body-centered cubic geometry to one Cr, three equivalent Fe, and four Si atoms. All Fe–Fe bond lengths are 2.44 Å. There are three shorter (2.40 Å) and one longer (2.47 Å) Fe–Si bond lengths. In the fourth Fe site, Fe is bonded in a 8-coordinate geometry to three equivalent Cr, one Fe, and four equivalent Si atoms. The Fe–Fe bond length is 2.48 Å. There are one shorter (2.40 Å) and three longer (2.43 Å) Fe–Si bond lengths. In the fifth Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six Si atoms. There are three shorter (2.79 Å) and three longer (2.80 Å) Fe–Si bond lengths. In the sixth Fe site, Fe is bonded in a 8-coordinate geometry to eight Fe and six equivalent Si atoms. All Fe–Si bond lengths are 2.79 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. In the second Si site, Si is bonded in a distorted body-centered cubic geometry to eleven Fe atoms.
DOI: 10.17188/1751334
title: Materials Data on Lu2CdOs by Materials Project

description: Lu2OsCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Cd atoms. All Lu–Os bond lengths are 3.01 Å. All Lu–Cd bond lengths are 3.01 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1751335
title: Materials Data on PmErAl2 by Materials Project

description: ErPmAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Er–Al bond lengths are 3.14 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pm–Al bond lengths are 3.14 Å. Al is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Pm atoms.