cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1311368
title: Materials Data on Ho2OsRu by Materials Project

description: Ho2OsRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Ru atoms. All Ho–Os bond lengths are 2.94 Å. All Ho–Ru bond lengths are 2.94 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1311369
title: Materials Data on Ho2IrRu by Materials Project

description: Ho2RuIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Ir atoms. All Ho–Ru bond lengths are 2.95 Å. All Ho–Ir bond lengths are 2.95 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1311370
title: Materials Data on HoNbRu2 by Materials Project

description: HoNbRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ho–Ru bond lengths are 2.83 Å. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.83 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Nb atoms.
DOI: 10.17188/1311371
title: Materials Data on HfTc2W by Materials Project

description: HfWTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Hf–Tc bond lengths are 2.76 Å. W2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All W–Tc bond lengths are 2.76 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Hf4+ and four equivalent W2+ atoms.
DOI: 10.17188/1311372
title: Materials Data on Be2PdRh by Materials Project

description: Be2RhPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Pd atoms. All Be–Rh bond lengths are 2.43 Å. All Be–Pd bond lengths are 2.43 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Be atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Be atoms.
DOI: 10.17188/1311373
title: Materials Data on HoTaRu2 by Materials Project

description: HoTaRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ho–Ru bond lengths are 2.83 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.83 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Ta atoms.
DOI: 10.17188/1311374
title: Materials Data on HfZnAu2 by Materials Project

description: HfAu2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Hf–Au bond lengths are 2.86 Å. Au is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Zn atoms. All Au–Zn bond lengths are 2.86 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1311375
title: Materials Data on Tm2RuPt by Materials Project

description: Tm2RuPt is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Pt atoms. All Tm–Ru bond lengths are 2.95 Å. All Tm–Pt bond lengths are 2.95 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Pt is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1311376
title: Materials Data on Tm2TlAg by Materials Project

description: Tm2AgTl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Tl atoms. All Tm–Ag bond lengths are 3.19 Å. All Tm–Tl bond lengths are 3.19 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1311377
title: Materials Data on V3Os by Materials Project

description: V3Os is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded to four equivalent V and four equivalent Os atoms to form a mixture of distorted edge, face, and corner-sharing VV4Os4 tetrahedra. All V–V bond lengths are 2.60 Å. All V–Os bond lengths are 2.60 Å. In the second V site, V is bonded in a 8-coordinate geometry to eight equivalent V and six equivalent Os atoms. All V–Os bond lengths are 3.00 Å. Os is bonded in a distorted body-centered cubic geometry to fourteen V atoms.
DOI: 10.17188/1311378
title: Materials Data on Tm2RuRh by Materials Project

description: Tm2RuRh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Rh atoms. All Tm–Ru bond lengths are 2.92 Å. All Tm–Rh bond lengths are 2.92 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1311379
title: Materials Data on LuTc2W by Materials Project

description: LuWTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Lu–Tc bond lengths are 2.79 Å. W3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All W–Tc bond lengths are 2.79 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Lu3+ and four equivalent W3+ atoms.
DOI: 10.17188/1311380
title: Materials Data on LuTaRu2 by Materials Project

description: LuTaRu2 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 eight equivalent Ru atoms. All Lu–Ru bond lengths are 2.81 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.81 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ta atoms.
DOI: 10.17188/1311381
title: Materials Data on DyNbRu2 by Materials Project

description: DyNbRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Dy–Ru bond lengths are 2.84 Å. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.84 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Nb atoms.
DOI: 10.17188/1311382
title: Materials Data on LuTaOs2 by Materials Project

description: LuTaOs2 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 eight equivalent Os atoms. All Lu–Os bond lengths are 2.82 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Os atoms. All Ta–Os bond lengths are 2.82 Å. Os is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Ta atoms.
DOI: 10.17188/1311383
title: Materials Data on NaTmTl2 by Materials Project

description: NaTmTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Na–Tl bond lengths are 3.26 Å. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms. All Tm–Tl bond lengths are 3.26 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Tm atoms.
DOI: 10.17188/1311384
title: Materials Data on Lu2TlAg by Materials Project

description: Lu2AgTl 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 Ag and four equivalent Tl atoms. All Lu–Ag bond lengths are 3.17 Å. All Lu–Tl bond lengths are 3.17 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1311385
title: Materials Data on Na2TlSb by Materials Project

description: Na2TlSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to four equivalent Tl1+ and four equivalent Sb3- atoms. All Na–Tl bond lengths are 3.30 Å. All Na–Sb bond lengths are 3.30 Å. Tl1+ is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Na1+ atoms.
DOI: 10.17188/1311386
title: Materials Data on Lu2TlCd by Materials Project

description: Lu2CdTl 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 Cd and four equivalent Tl atoms. All Lu–Cd bond lengths are 3.21 Å. All Lu–Tl bond lengths are 3.21 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1311387
title: Materials Data on VFe3 by Materials Project

description: VFe3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to fourteen Fe atoms. There are eight shorter (2.48 Å) and six longer (2.86 Å) V–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Fe atoms. All Fe–Fe bond lengths are 2.48 Å. In the second Fe site, Fe is bonded in a 8-coordinate geometry to six equivalent V and eight equivalent Fe atoms.
DOI: 10.17188/1311388
title: Materials Data on Zr6Al16Ru7 by Materials Project

description: Zr6Ru7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Ru and eight Al atoms. All Zr–Ru bond lengths are 3.15 Å. There are four shorter (2.90 Å) and four longer (3.03 Å) Zr–Al bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Zr and eight Al atoms to form a mixture of distorted corner and face-sharing RuZr4Al8 cuboctahedra. There are four shorter (2.53 Å) and four longer (2.72 Å) Ru–Al bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Ru–Al bond lengths are 2.56 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 4-coordinate geometry to three equivalent Zr and four Ru atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Zr and three equivalent Ru atoms.
DOI: 10.17188/1311389
title: Materials Data on LuSbRh2 by Materials Project

description: LuRh2Sb 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 eight equivalent Rh and six equivalent Sb atoms. All Lu–Rh bond lengths are 2.85 Å. All Lu–Sb bond lengths are 3.30 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sb atoms. All Rh–Sb bond lengths are 2.85 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Lu and eight equivalent Rh atoms.
DOI: 10.17188/1311390
title: Materials Data on LuSbRu2 by Materials Project

description: LuRu2Sb 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 eight equivalent Ru and six equivalent Sb atoms. All Lu–Ru bond lengths are 2.82 Å. All Lu–Sb bond lengths are 3.25 Å. Ru is bonded in a distorted body-centered cubic geometry to four equivalent Lu and four equivalent Sb atoms. All Ru–Sb bond lengths are 2.82 Å. Sb is bonded in a 8-coordinate geometry to six equivalent Lu and eight equivalent Ru atoms.
DOI: 10.17188/1311391
title: Materials Data on TiBe2Ir by Materials Project

description: Be2TiIr is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ir atoms. All Be–Ti bond lengths are 2.46 Å. All Be–Ir bond lengths are 2.46 Å. Ti is bonded in a 8-coordinate geometry to eight equivalent Be and six equivalent Ir atoms. All Ti–Ir bond lengths are 2.84 Å. Ir is bonded in a distorted body-centered cubic geometry to eight equivalent Be and six equivalent Ti atoms.
DOI: 10.17188/1311392
title: Materials Data on TiGaPd2 by Materials Project

description: Pd2TiGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Ti–Pd bond lengths are 2.71 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ga atoms. All Pd–Ga bond lengths are 2.71 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1311393
title: Materials Data on TiFe2Si by Materials Project

description: Fe2TiSi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Si atoms. All Ti–Fe bond lengths are 2.46 Å. All Ti–Si bond lengths are 2.85 Å. Fe is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Si atoms. All Fe–Si bond lengths are 2.46 Å. Si is bonded in a distorted body-centered cubic geometry to six equivalent Ti and eight equivalent Fe atoms.
DOI: 10.17188/1311394
title: Materials Data on TiGaIr2 by Materials Project

description: TiIr2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ti–Ir bond lengths are 2.68 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.68 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1311395
title: Materials Data on TiBeRh2 by Materials Project

description: BeTiRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Be–Rh bond lengths are 2.57 Å. Ti is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ti–Rh bond lengths are 2.57 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Ti atoms.
DOI: 10.17188/1311396
title: Materials Data on Lu2AgIr by Materials Project

description: Lu2IrAg 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 Ir and four equivalent Ag atoms. All Lu–Ir bond lengths are 2.98 Å. All Lu–Ag bond lengths are 2.98 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1311397
title: Materials Data on LiSm2Ir by Materials Project

description: LiSm2Ir is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. All Li–Sm bond lengths are 3.08 Å. Sm is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Sm–Ir bond lengths are 3.08 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1311398
title: Materials Data on Lu2AgOs by Materials Project

description: Lu2OsAg 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 Ag atoms. All Lu–Os bond lengths are 2.97 Å. All Lu–Ag bond lengths are 2.97 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1311405
title: Materials Data on LiSm2Os by Materials Project

description: LiSm2Os is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. All Li–Sm bond lengths are 3.06 Å. Sm is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Os atoms. All Sm–Os bond lengths are 3.06 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1311406
title: Materials Data on TiBeCo2 by Materials Project

description: BeTiCo2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Be–Co bond lengths are 2.42 Å. Ti is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Ti–Co bond lengths are 2.42 Å. Co is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Ti atoms.
DOI: 10.17188/1311407
title: Materials Data on TiAlRh2 by Materials Project

description: Rh2TiAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ti–Rh bond lengths are 2.65 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Rh–Al bond lengths are 2.65 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1311408
title: Materials Data on TiBeIr2 by Materials Project

description: BeTiIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Be–Ir bond lengths are 2.58 Å. Ti is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ti–Ir bond lengths are 2.58 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Ti atoms.
DOI: 10.17188/1311409
title: Materials Data on TiAlRu2 by Materials Project

description: Ru2TiAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ti–Ru bond lengths are 2.64 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Ru–Al bond lengths are 2.64 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1311410
title: Materials Data on YGaRh2 by Materials Project

description: YRh2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Y–Rh bond lengths are 2.80 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.80 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1311411
title: Materials Data on TiGaRh2 by Materials Project

description: Rh2TiGa is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ti–Rh bond lengths are 2.66 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.66 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1311412
title: Materials Data on YLuMg2 by Materials Project

description: Mg2LuY is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Y atoms. All Mg–Lu bond lengths are 3.27 Å. All Mg–Y bond lengths are 3.27 Å. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Y is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1311413
title: Materials Data on YZrRu2 by Materials Project

description: YZrRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Y–Ru bond lengths are 2.89 Å. Zr is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Zr–Ru bond lengths are 2.89 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Zr atoms.
DOI: 10.17188/1311414
title: Materials Data on Y2AgIr by Materials Project

description: Y2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Y–Ir bond lengths are 3.06 Å. All Y–Ag bond lengths are 3.06 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Y atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Y atoms.
DOI: 10.17188/1311415
title: Materials Data on VRh3 by Materials Project

description: Rh3V is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent Rh atoms to form VRh12 cuboctahedra that share corners with six equivalent VRh12 cuboctahedra, corners with twelve equivalent RhV4Rh8 cuboctahedra, edges with eighteen equivalent RhV4Rh8 cuboctahedra, faces with eight equivalent VRh12 cuboctahedra, and faces with twelve equivalent RhV4Rh8 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.72 Å) V–Rh bond lengths. Rh is bonded to four equivalent V and eight equivalent Rh atoms to form distorted RhV4Rh8 cuboctahedra that share corners with four equivalent VRh12 cuboctahedra, corners with fourteen equivalent RhV4Rh8 cuboctahedra, edges with six equivalent VRh12 cuboctahedra, edges with twelve equivalent RhV4Rh8 cuboctahedra, faces with four equivalent VRh12 cuboctahedra, and faces with sixteen equivalent RhV4Rh8 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.68–2.73 Å.