cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1312241
title: Materials Data on ScTlRh2 by Materials Project

description: ScRh2Tl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.82 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Tl atoms. All Rh–Tl bond lengths are 2.82 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1312242
title: Materials Data on SmCdAu2 by Materials Project

description: SmAu2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sm–Au bond lengths are 3.07 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Cd atoms. All Au–Cd bond lengths are 3.07 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1312243
title: Materials Data on La3Pb by Materials Project

description: La3Pb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a distorted square co-planar geometry to four equivalent Pb atoms. All La–Pb bond lengths are 3.60 Å. Pb is bonded to twelve equivalent La atoms to form a mixture of face and corner-sharing PbLa12 cuboctahedra.
DOI: 10.17188/1312244
title: Materials Data on RbBaTaS4 (SG:62) 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: 10.17188/1312245
title: Materials Data on Sm2CuIr by Materials Project

description: Sm2IrCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Cu atoms. All Sm–Ir bond lengths are 3.05 Å. All Sm–Cu bond lengths are 3.05 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1312246
title: Materials Data on LiTm2Pt by Materials Project

description: LiTm2Pt 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 Tm atoms. All Li–Tm bond lengths are 3.00 Å. Tm is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms. All Tm–Pt bond lengths are 3.00 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1312247
title: Materials Data on KNaGdTaO5 (SG:129) 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: 10.17188/1312248
title: Materials Data on AcCd3 by Materials Project

description: AcCd3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to twelve equivalent Cd atoms to form a mixture of distorted face and corner-sharing AcCd12 cuboctahedra. There are six shorter (3.43 Å) and six longer (3.61 Å) Ac–Cd bond lengths. Cd is bonded in a 10-coordinate geometry to four equivalent Ac and six equivalent Cd atoms. There are four shorter (3.17 Å) and two longer (3.24 Å) Cd–Cd bond lengths.
DOI: 10.17188/1312249
title: Materials Data on ErCl3 (SG:194) 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: 10.17188/1312250
title: Materials Data on SmI3 (SG:194) 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: 10.17188/1312251
title: Materials Data on Sm2MgAl by Materials Project

description: MgSm2Al 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 eight equivalent Sm atoms. All Mg–Sm bond lengths are 3.25 Å. Sm is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Sm–Al bond lengths are 3.25 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1312252
title: Materials Data on Sm2CuRu by Materials Project

description: Sm2RuCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Cu atoms. All Sm–Ru bond lengths are 3.03 Å. All Sm–Cu bond lengths are 3.03 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1312253
title: Materials Data on ScZnCu2 by Materials Project

description: ScCu2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Sc–Cu bond lengths are 2.69 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Zn atoms. All Cu–Zn bond lengths are 2.69 Å. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms.
DOI: 10.17188/1312254
title: Materials Data on ScTaRu2 by Materials Project

description: ScTaRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sc–Ru bond lengths are 2.76 Å. Ta is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ta–Ru bond lengths are 2.76 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ta atoms.
DOI: 10.17188/1312255
title: Materials Data on DyAgHg2 by Materials Project

description: DyAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Dy–Ag bond lengths are 3.56 Å. All Dy–Hg bond lengths are 3.08 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Dy and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.08 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Ag atoms.
DOI: 10.17188/1312256
title: Materials Data on Sm2IrRh by Materials Project

description: Sm2IrRh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Rh atoms. All Sm–Ir bond lengths are 3.04 Å. All Sm–Rh bond lengths are 3.04 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1312257
title: Materials Data on DyCdRh2 by Materials Project

description: DyRh2Cd 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 Rh atoms. All Dy–Rh bond lengths are 2.88 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Cd atoms. All Rh–Cd bond lengths are 2.88 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1312258
title: Materials Data on ScTaTc2 by Materials Project

description: ScTaTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Sc–Tc bond lengths are 2.78 Å. Ta3+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Ta–Tc bond lengths are 2.78 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Sc3+ and four equivalent Ta3+ atoms.
DOI: 10.17188/1312259
title: Materials Data on LiSiRh2 by Materials Project

description: LiRh2Si 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 Rh and six equivalent Si atoms. All Li–Rh bond lengths are 2.51 Å. All Li–Si bond lengths are 2.90 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Si atoms. All Rh–Si bond lengths are 2.51 Å. Si is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Rh atoms.
DOI: 10.17188/1312260
title: Materials Data on LiLuAu2 by Materials Project

description: LiLuAu2 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 Au atoms. All Li–Au bond lengths are 2.93 Å. Lu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Lu–Au bond lengths are 2.93 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Lu atoms.
DOI: 10.17188/1312261
title: Materials Data on AlGeRu2 by Materials Project

description: Ru2AlGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ru is bonded in a body-centered cubic geometry to four equivalent Al and four equivalent Ge atoms. All Ru–Al bond lengths are 2.61 Å. All Ru–Ge bond lengths are 2.61 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1312262
title: Materials Data on LiLa2Ru by Materials Project

description: LiLa2Ru 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 La atoms. All Li–La bond lengths are 3.16 Å. La is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ru atoms. All La–Ru bond lengths are 3.16 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1312263
title: Materials Data on PuSi3 by Materials Project

description: PuSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pu4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of distorted corner and face-sharing PuSi12 cuboctahedra. There are six shorter (2.93 Å) and six longer (2.95 Å) Pu–Si bond lengths. Si+1.33- is bonded in a 10-coordinate geometry to four equivalent Pu4+ and six equivalent Si+1.33- atoms. There are two shorter (2.55 Å) and four longer (2.66 Å) Si–Si bond lengths.
DOI: 10.17188/1312264
title: Materials Data on LaBiAu2 by Materials Project

description: LaAu2Bi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All La–Au bond lengths are 3.20 Å. Au is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Bi atoms. All Au–Bi bond lengths are 3.20 Å. Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1312265
title: Materials Data on ScCdRh2 by Materials Project

description: ScRh2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.80 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Cd atoms. All Rh–Cd bond lengths are 2.80 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1312266
title: Materials Data on LaAgAu2 by Materials Project

description: LaAu2Ag is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All La–Au bond lengths are 3.11 Å. Au is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Ag atoms. All Au–Ag bond lengths are 3.11 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1312267
title: Materials Data on ScCdPd2 by Materials Project

description: ScPd2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Sc–Pd bond lengths are 2.85 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Cd atoms. All Pd–Cd bond lengths are 2.85 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1312268
title: Materials Data on Ba2SnHg by Materials Project

description: Ba2HgSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Sn atoms. All Ba–Hg bond lengths are 3.69 Å. All Ba–Sn bond lengths are 3.69 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.
DOI: 10.17188/1312269
title: Materials Data on LiHo2Ir by Materials Project

description: LiHo2Ir 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 Ho atoms. All Li–Ho bond lengths are 3.00 Å. Ho is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms. All Ho–Ir bond lengths are 3.00 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1312270
title: Materials Data on LaMgAg2 by Materials Project

description: MgLaAg2 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 eight equivalent Ag atoms. All Mg–Ag bond lengths are 3.15 Å. La is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All La–Ag bond lengths are 3.15 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent La atoms.
DOI: 10.17188/1312271
title: Materials Data on ScGaCo2 by Materials Project

description: ScCo2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Ga atoms. All Sc–Co bond lengths are 2.60 Å. All Sc–Ga bond lengths are 3.00 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Sc and four equivalent Ga atoms. All Co–Ga bond lengths are 2.60 Å. Ga is bonded in a 8-coordinate geometry to six equivalent Sc and eight equivalent Co atoms.
DOI: 10.17188/1312272
title: Materials Data on ScGaIr2 by Materials Project

description: ScIr2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sc–Ir bond lengths are 2.71 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ga atoms. All Ir–Ga bond lengths are 2.71 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1312273
title: Materials Data on CuGeRh2 by Materials Project

description: Rh2CuGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rh is bonded in a body-centered cubic geometry to four equivalent Cu and four equivalent Ge atoms. All Rh–Cu bond lengths are 2.60 Å. All Rh–Ge bond lengths are 2.60 Å. Cu is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1312274
title: Materials Data on ErPaRu2 by Materials Project

description: PaErRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Pa–Ru bond lengths are 2.96 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Er–Ru bond lengths are 2.96 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Er atoms.
DOI: 10.17188/1312275
title: Materials Data on ErNbRu2 by Materials Project

description: ErNbRu2 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 Ru atoms. All Er–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 Er and four equivalent Nb atoms.
DOI: 10.17188/1312276
title: Materials Data on K2Rh2O5 by Materials Project

description: K2Rh2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to eight equivalent O2- atoms to form distorted KO8 hexagonal bipyramids that share corners with eight equivalent KO12 cuboctahedra, edges with four equivalent KO8 hexagonal bipyramids, edges with eight equivalent RhO5 square pyramids, and faces with two equivalent KO12 cuboctahedra. All K–O bond lengths are 2.78 Å. In the second K1+ site, K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with four equivalent KO12 cuboctahedra, corners with eight equivalent KO8 hexagonal bipyramids, faces with four equivalent KO12 cuboctahedra, faces with two equivalent KO8 hexagonal bipyramids, and faces with eight equivalent RhO5 square pyramids. There are four shorter (2.75 Å) and eight longer (3.06 Å) K–O bond lengths. Rh4+ is bonded to five O2- atoms to form RhO5 square pyramids that share corners with five equivalent RhO5 square pyramids, edges with four equivalent KO8 hexagonal bipyramids, and faces with four equivalent KO12 cuboctahedra. There is four shorter (1.98 Å) and one longer (2.00 Å) Rh–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to four K1+ and two equivalent Rh4+ atoms. In the second O2- site, O2- is bonded to four equivalent K1+ and two equivalent Rh4+ atoms to form a mixture of edge and corner-sharing OK4Rh2 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1312277
title: Materials Data on Sm2ZnRu by Materials Project

description: Sm2RuZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Zn atoms. All Sm–Ru bond lengths are 3.08 Å. All Sm–Zn bond lengths are 3.08 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1312278
title: Materials Data on ScAlRh2 by Materials Project

description: ScRh2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.70 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Al atoms. All Rh–Al bond lengths are 2.70 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1312279
title: Materials Data on ScGaPt2 by Materials Project

description: ScPt2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Sc–Pt bond lengths are 2.78 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Sc2+ and four equivalent Ga2+ atoms. All Pt–Ga bond lengths are 2.78 Å. Ga2+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.
DOI: 10.17188/1312280
title: Materials Data on LiCdPd2 by Materials Project

description: LiPd2Cd 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 Pd atoms. All Li–Pd bond lengths are 2.75 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Cd atoms. All Pd–Cd bond lengths are 2.75 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1312281
title: Materials Data on SrAcHg2 by Materials Project

description: SrAcHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sr–Hg bond lengths are 3.49 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ac–Hg bond lengths are 3.49 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Ac atoms.
DOI: 10.17188/1312282
title: Materials Data on LiInPd2 by Materials Project

description: LiPd2In 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 Pd atoms. All Li–Pd bond lengths are 2.75 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent In atoms. All Pd–In bond lengths are 2.75 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1312283
title: Materials Data on LiVIr2 by Materials Project

description: LiVIr2 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 Ir atoms. All Li–Ir bond lengths are 2.57 Å. V is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms. All V–Ir bond lengths are 2.57 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent V atoms.
DOI: 10.17188/1312284
title: Materials Data on ScGaRh2 by Materials Project

description: ScRh2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.71 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.71 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1312285
title: Materials Data on Sm3SiAgS7 (SG:173) 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