cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1309367
title: Materials Data on PaGa3 by Materials Project

description: PaGa3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Ga atoms to form PaGa12 cuboctahedra that share corners with twelve equivalent PaGa12 cuboctahedra, edges with twenty-four equivalent GaPa4Ga8 cuboctahedra, faces with six equivalent PaGa12 cuboctahedra, and faces with twelve equivalent GaPa4Ga8 cuboctahedra. All Pa–Ga bond lengths are 3.05 Å. Ga is bonded to four equivalent Pa and eight equivalent Ga atoms to form distorted GaPa4Ga8 cuboctahedra that share corners with twelve equivalent GaPa4Ga8 cuboctahedra, edges with eight equivalent PaGa12 cuboctahedra, edges with sixteen equivalent GaPa4Ga8 cuboctahedra, faces with four equivalent PaGa12 cuboctahedra, and faces with fourteen equivalent GaPa4Ga8 cuboctahedra. All Ga–Ga bond lengths are 3.05 Å.
DOI: 10.17188/1309368
title: Materials Data on Ti2MnFe by Materials Project

description: Ti2MnFe 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 four equivalent Mn and four equivalent Fe atoms. All Ti–Mn bond lengths are 2.57 Å. All Ti–Fe bond lengths are 2.57 Å. Mn is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Fe atoms. All Mn–Fe bond lengths are 2.97 Å. Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Mn atoms.
DOI: 10.17188/1309369
title: Materials Data on Er2IrPd by Materials Project

description: Er2IrPd 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 four equivalent Ir and four equivalent Pd atoms. All Er–Ir bond lengths are 2.97 Å. All Er–Pd bond lengths are 2.97 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1309370
title: Materials Data on Er2IrRh by Materials Project

description: Er2IrRh 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 four equivalent Ir and four equivalent Rh atoms. All Er–Ir bond lengths are 2.94 Å. All Er–Rh bond lengths are 2.94 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Er atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Er atoms.
DOI: 10.17188/1309371
title: Materials Data on Pr5Al2Ru3 by Materials Project

description: Pr5Ru3Al2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to four equivalent Ru and four equivalent Al atoms. There are two shorter (2.82 Å) and two longer (3.36 Å) Pr–Ru bond lengths. There are two shorter (3.28 Å) and two longer (3.40 Å) Pr–Al bond lengths. In the second Pr site, Pr is bonded to three equivalent Ru and one Al atom to form distorted corner-sharing PrAlRu3 tetrahedra. All Pr–Ru bond lengths are 2.97 Å. The Pr–Al bond length is 3.25 Å. Ru is bonded in a 8-coordinate geometry to six Pr and two equivalent Al atoms. Both Ru–Al bond lengths are 2.64 Å. Al is bonded in a 3-coordinate geometry to seven Pr and three equivalent Ru atoms.
DOI: 10.17188/1309372
title: Materials Data on PaIn3 by Materials Project

description: PaIn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to twelve equivalent In atoms to form PaIn12 cuboctahedra that share corners with twelve equivalent PaIn12 cuboctahedra, edges with twenty-four equivalent InPa4In8 cuboctahedra, faces with six equivalent PaIn12 cuboctahedra, and faces with twelve equivalent InPa4In8 cuboctahedra. All Pa–In bond lengths are 3.32 Å. In is bonded to four equivalent Pa and eight equivalent In atoms to form InPa4In8 cuboctahedra that share corners with twelve equivalent InPa4In8 cuboctahedra, edges with eight equivalent PaIn12 cuboctahedra, edges with sixteen equivalent InPa4In8 cuboctahedra, faces with four equivalent PaIn12 cuboctahedra, and faces with fourteen equivalent InPa4In8 cuboctahedra. All In–In bond lengths are 3.32 Å.
DOI: 10.17188/1309373
title: Materials Data on PrAgHg2 by Materials Project

description: PrAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Pr–Ag bond lengths are 3.65 Å. All Pr–Hg bond lengths are 3.16 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Pr and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.16 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Ag atoms.
DOI: 10.17188/1309374
title: Materials Data on PaMn2Al by Materials Project

description: PaMn2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms. All Pa–Mn bond lengths are 2.73 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Al atoms. All Mn–Al bond lengths are 2.73 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1309375
title: Materials Data on PaNi2Sb by Materials Project

description: PaNi2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sb atoms. All Pa–Ni bond lengths are 2.83 Å. All Pa–Sb bond lengths are 3.27 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.83 Å. Sb is bonded in a distorted body-centered cubic geometry to six equivalent Pa and eight equivalent Ni atoms.
DOI: 10.17188/1309376
title: Materials Data on Ho2TlAg by Materials Project

description: Ho2AgTl 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 Ag and four equivalent Tl atoms. All Ho–Ag bond lengths are 3.21 Å. All Ho–Tl bond lengths are 3.21 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1309377
title: Materials Data on Ho2TlCd by Materials Project

description: Ho2CdTl 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 Cd and four equivalent Tl atoms. All Ho–Cd bond lengths are 3.25 Å. All Ho–Tl bond lengths are 3.25 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1309378
title: Materials Data on PaNi2Sn by Materials Project

description: PaNi2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pa is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sn atoms. All Pa–Ni bond lengths are 2.82 Å. All Pa–Sn bond lengths are 3.25 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Pa and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.82 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Pa and eight equivalent Ni atoms.
DOI: 10.17188/1309379
title: Materials Data on La2Si5Rh3 by Materials Project

description: La2Rh3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to seven Rh and ten Si atoms. There are a spread of La–Rh bond distances ranging from 3.18–3.45 Å. There are a spread of La–Si bond distances ranging from 3.07–3.27 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 5-coordinate geometry to five equivalent La and five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.48 Å. In the second Rh site, Rh is bonded in a 6-coordinate geometry to four equivalent La and six Si atoms. There are four shorter (2.47 Å) and two longer (2.69 Å) Rh–Si bond lengths. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Rh atoms. In the second Si site, Si is bonded in a 2-coordinate geometry to four equivalent La, three Rh, and two equivalent Si atoms. Both Si–Si bond lengths are 2.54 Å. In the third Si site, Si is bonded in a 9-coordinate geometry to four equivalent La, three Rh, and two equivalent Si atoms.
DOI: 10.17188/1309380
title: Materials Data on K2PtSe2 by Materials Project

description: K2PtSe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are two shorter (3.39 Å) and four longer (3.45 Å) K–Se bond lengths. Pt2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pt–Se bond lengths are 2.51 Å. Se2- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent Pt2+ atoms.
DOI: 10.17188/1309381
title: Materials Data on Rb2PtSe2 by Materials Project

description: Rb2PtSe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six equivalent Se2- atoms. There are two shorter (3.52 Å) and four longer (3.58 Å) Rb–Se bond lengths. Pt2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pt–Se bond lengths are 2.52 Å. Se2- is bonded in a 2-coordinate geometry to six equivalent Rb1+ and two equivalent Pt2+ atoms.
DOI: 10.17188/1309382
title: Materials Data on Cu2PdAu by Materials Project

description: PdAuCu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pd is bonded in a distorted body-centered cubic geometry to eight equivalent Cu atoms. All Pd–Cu bond lengths are 2.64 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. All Au–Cu bond lengths are 2.64 Å. Cu is bonded in a body-centered cubic geometry to four equivalent Pd and four equivalent Au atoms.
DOI: 10.17188/1309383
title: Materials Data on Sc2ZnAu by Materials Project

description: Sc2AuZn 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 four equivalent Au and four equivalent Zn atoms. All Sc–Au bond lengths are 2.93 Å. All Sc–Zn bond lengths are 2.93 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1309384
title: Materials Data on Sc2ZnPt by Materials Project

description: Sc2PtZn 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 four equivalent Pt and four equivalent Zn atoms. All Sc–Pt bond lengths are 2.87 Å. All Sc–Zn bond lengths are 2.87 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1309385
title: Materials Data on Sc3Al by Materials Project

description: Sc3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Al atoms to form distorted ScSc8Al4 cuboctahedra that share corners with four equivalent AlSc12 cuboctahedra, corners with fourteen equivalent ScSc8Al4 cuboctahedra, edges with six equivalent AlSc12 cuboctahedra, edges with twelve equivalent ScSc8Al4 cuboctahedra, faces with four equivalent AlSc12 cuboctahedra, and faces with sixteen equivalent ScSc8Al4 cuboctahedra. There are a spread of Sc–Sc bond distances ranging from 3.07–3.25 Å. There are two shorter (3.08 Å) and two longer (3.16 Å) Sc–Al bond lengths. Al is bonded to twelve equivalent Sc atoms to form AlSc12 cuboctahedra that share corners with six equivalent AlSc12 cuboctahedra, corners with twelve equivalent ScSc8Al4 cuboctahedra, edges with eighteen equivalent ScSc8Al4 cuboctahedra, faces with eight equivalent AlSc12 cuboctahedra, and faces with twelve equivalent ScSc8Al4 cuboctahedra.
DOI: 10.17188/1309386
title: Materials Data on ScZn3 by Materials Project

description: ScZn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded to twelve Zn atoms to form a mixture of face and corner-sharing ScZn12 cuboctahedra. There are six shorter (2.83 Å) and six longer (2.95 Å) Sc–Zn bond lengths. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.73–3.09 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight equivalent Zn atoms. In the third Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sc and eight equivalent Zn atoms.
DOI: 10.17188/1309387
title: Materials Data on Sc2ZnRu by Materials Project

description: Sc2RuZn 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 four equivalent Ru and four equivalent Zn atoms. All Sc–Ru bond lengths are 2.84 Å. All Sc–Zn bond lengths are 2.84 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1309388
title: Materials Data on LaCdHg2 by Materials Project

description: LaHg2Cd 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 Hg atoms. All La–Hg bond lengths are 3.23 Å. Hg is bonded in a body-centered cubic geometry to four equivalent La and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.23 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1309389
title: Materials Data on DyAlAg2 by Materials Project

description: DyAg2Al 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 Ag atoms. All Dy–Ag bond lengths are 2.96 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Al atoms. All Ag–Al bond lengths are 2.96 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1309390
title: Materials Data on Sc2ZnTc by Materials Project

description: Sc2TcZn 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 four equivalent Tc and four equivalent Zn atoms. All Sc–Tc bond lengths are 2.85 Å. All Sc–Zn bond lengths are 2.85 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1309391
title: Materials Data on BeAlRh2 by Materials Project

description: BeRh2Al 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 2.52 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Al atoms. All Rh–Al bond lengths are 2.52 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1309392
title: Materials Data on AlFe2W by Materials Project

description: WFe2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. W is bonded in a distorted body-centered cubic geometry to eight equivalent Fe and six equivalent Al atoms. All W–Fe bond lengths are 2.54 Å. All W–Al bond lengths are 2.93 Å. Fe is bonded in a body-centered cubic geometry to four equivalent W and four equivalent Al atoms. All Fe–Al bond lengths are 2.54 Å. Al is bonded in a distorted body-centered cubic geometry to six equivalent W and eight equivalent Fe atoms.
DOI: 10.17188/1309393
title: Materials Data on AcHg3 by Materials Project

description: AcHg3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded to twelve equivalent Hg atoms to form a mixture of corner and face-sharing AcHg12 cuboctahedra. There are six shorter (3.39 Å) and six longer (3.57 Å) Ac–Hg bond lengths. Hg is bonded in a 4-coordinate geometry to four equivalent Ac atoms.
DOI: 10.17188/1309394
title: Materials Data on LiFeRh2 by Materials Project

description: LiFeRh2 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 atoms. All Li–Rh bond lengths are 2.57 Å. Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms. All Fe–Rh bond lengths are 2.57 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Fe atoms.
DOI: 10.17188/1309395
title: Materials Data on BeGaRh2 by Materials Project

description: BeRh2Ga 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 2.53 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.53 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1309396
title: Materials Data on Ce3Zn11 by Materials Project

description: Ce3Zn11 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to sixteen Zn atoms to form distorted CeZn16 cuboctahedra that share corners with four equivalent ZnZn8 cuboctahedra, faces with two equivalent CeZn16 cuboctahedra, and faces with two equivalent ZnZn8 cuboctahedra. There are a spread of Ce–Zn bond distances ranging from 3.11–3.57 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to fourteen Zn atoms. There are a spread of Ce–Zn bond distances ranging from 3.06–3.23 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to five Ce and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.48–2.79 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to four Ce and six Zn atoms. There are one shorter (2.67 Å) and two longer (2.92 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 12-coordinate geometry to four Ce and eight Zn atoms. Both Zn–Zn bond lengths are 2.75 Å. In the fourth Zn site, Zn is bonded to eight Zn atoms to form distorted ZnZn8 cuboctahedra that share corners with four equivalent CeZn16 cuboctahedra, edges with two equivalent ZnZn8 cuboctahedra, and faces with two equivalent CeZn16 cuboctahedra.
DOI: 10.17188/1309397
title: Materials Data on La2AgIr by Materials Project

description: La2IrAg 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 four equivalent Ir and four equivalent Ag atoms. All La–Ir bond lengths are 3.20 Å. All La–Ag bond lengths are 3.20 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent La atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1309398
title: Materials Data on LiAlPt2 by Materials Project

description: LiPt2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms. All Li–Pt bond lengths are 2.61 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Al3+ atoms. All Pt–Al bond lengths are 2.61 Å. Al3+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.
DOI: 10.17188/1309399
title: Materials Data on LiAlRh2 by Materials Project

description: LiRh2Al 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 atoms. All Li–Rh bond lengths are 2.57 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Rh–Al bond lengths are 2.57 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1309400
title: Materials Data on K2Te2Pt by Materials Project

description: K2PtTe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent Te2- atoms. There are two shorter (3.54 Å) and four longer (3.71 Å) K–Te bond lengths. Pt2+ is bonded in a square co-planar geometry to four equivalent Te2- atoms. All Pt–Te bond lengths are 2.67 Å. Te2- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent Pt2+ atoms.
DOI: 10.17188/1309401
title: Materials Data on Sc2GaOs by Materials Project

description: Sc2OsGa 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 four equivalent Os and four equivalent Ga atoms. All Sc–Os bond lengths are 2.84 Å. All Sc–Ga bond lengths are 2.84 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1309402
title: Materials Data on Sc2GaRu by Materials Project

description: Sc2RuGa 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 four equivalent Ru and four equivalent Ga atoms. All Sc–Ru bond lengths are 2.84 Å. All Sc–Ga bond lengths are 2.84 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Sc atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sc atoms.
DOI: 10.17188/1309403
title: Materials Data on LiBePd2 by Materials Project

description: LiBePd2 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 2.50 Å. Be is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Be–Pd bond lengths are 2.50 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Be atoms.
DOI: 10.17188/1309404
title: Materials Data on LiBePt2 by Materials Project

description: LiBePt2 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 Pt atoms. All Li–Pt bond lengths are 2.49 Å. Be is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Be–Pt bond lengths are 2.49 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Be atoms.