cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1311812
title: Materials Data on Pm3Si by Materials Project

description: Pm3Si is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pm is bonded to eight equivalent Pm and four equivalent Si atoms to form distorted PmPm8Si4 cuboctahedra that share corners with twelve equivalent PmPm8Si4 cuboctahedra, edges with eight equivalent SiPm12 cuboctahedra, edges with sixteen equivalent PmPm8Si4 cuboctahedra, faces with four equivalent SiPm12 cuboctahedra, and faces with fourteen equivalent PmPm8Si4 cuboctahedra. All Pm–Pm bond lengths are 3.36 Å. All Pm–Si bond lengths are 3.36 Å. Si is bonded to twelve equivalent Pm atoms to form SiPm12 cuboctahedra that share corners with twelve equivalent SiPm12 cuboctahedra, edges with twenty-four equivalent PmPm8Si4 cuboctahedra, faces with six equivalent SiPm12 cuboctahedra, and faces with twelve equivalent PmPm8Si4 cuboctahedra.
DOI: 10.17188/1311825
title: Materials Data on PuO2 by Materials Project

description: PuO2 is Hydrophilite-like structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pu4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PuO6 octahedra. The corner-sharing octahedral tilt angles are 53°. All Pu–O bond lengths are 2.23 Å. O2- is bonded in a trigonal planar geometry to three equivalent Pu4+ atoms.
DOI: 10.17188/1311826
title: Materials Data on LiCa2Tl by Materials Project

description: LiCa2Tl 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 Ca atoms. All Li–Ca bond lengths are 3.35 Å. Ca is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Tl atoms. All Ca–Tl bond lengths are 3.35 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1311827
title: Materials Data on Sr2SbAu (SG:225) 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: 10.17188/1311828
title: Materials Data on Sr2SnHg by Materials Project

description: Sr2HgSn 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 four equivalent Hg and four equivalent Sn atoms. All Sr–Hg bond lengths are 3.51 Å. All Sr–Sn bond lengths are 3.51 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sr atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.
DOI: 10.17188/1311829
title: Materials Data on LiGaPt2 by Materials Project

description: LiPt2Ga 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 2.63 Å. Pt2- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Ga3+ atoms. All Pt–Ga bond lengths are 2.63 Å. Ga3+ is bonded in a body-centered cubic geometry to eight equivalent Pt2- atoms.
DOI: 10.17188/1311830
title: Materials Data on SrLi2Sn by Materials Project

description: Li2SrSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Sn atoms. All Li–Sr bond lengths are 3.11 Å. All Li–Sn bond lengths are 3.11 Å. Sr is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Sn atoms. All Sr–Sn bond lengths are 3.59 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Sr atoms.
DOI: 10.17188/1311831
title: Materials Data on SrMgTl2 by Materials Project

description: SrMgTl2 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 Tl atoms. All Sr–Tl bond lengths are 3.37 Å. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms. All Mg–Tl bond lengths are 3.37 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Mg atoms.
DOI: 10.17188/1311832
title: Materials Data on SrInHg2 by Materials Project

description: SrHg2In 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 and six equivalent In atoms. All Sr–Hg bond lengths are 3.31 Å. All Sr–In bond lengths are 3.82 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent In atoms. All Hg–In bond lengths are 3.31 Å. In is bonded in a distorted body-centered cubic geometry to six equivalent Sr and eight equivalent Hg atoms.
DOI: 10.17188/1311833
title: Materials Data on SrLi2Pb by Materials Project

description: Li2SrPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Pb atoms. All Li–Sr bond lengths are 3.15 Å. All Li–Pb bond lengths are 3.15 Å. Sr is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pb atoms. All Sr–Pb bond lengths are 3.64 Å. Pb is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Sr atoms.
DOI: 10.17188/1311834
title: Materials Data on SmAgAs2 by Materials Project

description: SmAgAs2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of Sm–As bond distances ranging from 3.00–3.22 Å. Ag1+ is bonded in a 8-coordinate geometry to four equivalent Ag1+ and four equivalent As2- atoms. All Ag–Ag bond lengths are 2.86 Å. There are two shorter (2.80 Å) and two longer (2.81 Å) Ag–As bond lengths. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent Ag1+ atoms. In the second As2- site, As2- is bonded in a 6-coordinate geometry to four equivalent Sm3+ and two equivalent As2- atoms. Both As–As bond lengths are 2.62 Å.
DOI: 10.17188/1311835
title: Materials Data on PrMgCd2 by Materials Project

description: MgPrCd2 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 Cd atoms. All Mg–Cd bond lengths are 3.20 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Pr–Cd bond lengths are 3.20 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pr atoms.
DOI: 10.17188/1311836
title: Materials Data on SrCdHg2 by Materials Project

description: SrHg2Cd 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 and six equivalent Cd atoms. All Sr–Hg bond lengths are 3.29 Å. All Sr–Cd bond lengths are 3.80 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Sr and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.29 Å. Cd is bonded in a distorted body-centered cubic geometry to six equivalent Sr and eight equivalent Hg atoms.
DOI: 10.17188/1311837
title: Materials Data on Pm2S3 (SG:167) 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: 10.17188/1311838
title: Materials Data on SmMgHg2 by Materials Project

description: MgSmHg2 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 Hg atoms. All Mg–Hg bond lengths are 3.15 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sm–Hg bond lengths are 3.15 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sm atoms.
DOI: 10.17188/1311839
title: Materials Data on Sm2ZnIr by Materials Project

description: Sm2IrZn 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 Zn atoms. All Sm–Ir bond lengths are 3.08 Å. All Sm–Zn bond lengths are 3.08 Å. Ir 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: 10.17188/1311840
title: Materials Data on K2TeH6SeO10 (SG:9) 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: 10.17188/1311841
title: Materials Data on Pu3O2 by Materials Project

description: Pu3O2 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pu is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. There are two shorter (2.46 Å) and two longer (2.53 Å) Pu–O bond lengths. O is bonded to six equivalent Pu atoms to form a mixture of edge, corner, and face-sharing OPu6 octahedra. The corner-sharing octahedra tilt angles range from 49–50°.
DOI: 10.17188/1311842
title: Materials Data on CeZn2Ag by Materials Project

description: CeAgZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Zn atoms. All Ce–Ag bond lengths are 3.43 Å. All Ce–Zn bond lengths are 2.97 Å. Ag is bonded in a distorted body-centered cubic geometry to six equivalent Ce and eight equivalent Zn atoms. All Ag–Zn bond lengths are 2.97 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Ag atoms.
DOI: 10.17188/1311843
title: Materials Data on ScInIr2 by Materials Project

description: ScIr2In 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 2.80 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent In atoms. All Ir–In bond lengths are 2.80 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1311844
title: Materials Data on RbNpCuS3 by Materials Project

description: RbNpCuS3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.38–3.66 Å. Np4+ is bonded to six S2- atoms to form NpS6 octahedra that share corners with two equivalent NpS6 octahedra, edges with two equivalent NpS6 octahedra, and edges with four equivalent CuS4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are two shorter (2.69 Å) and four longer (2.71 Å) Np–S bond lengths. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra and edges with four equivalent NpS6 octahedra. There are two shorter (2.30 Å) and two longer (2.40 Å) Cu–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three equivalent Rb1+, two equivalent Np4+, and one Cu1+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Rb1+, two equivalent Np4+, and two equivalent Cu1+ atoms.
DOI: 10.17188/1311845
title: Materials Data on Pm3Pb by Materials Project

description: Pm3Pb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pm is bonded in a distorted square co-planar geometry to four equivalent Pb atoms. All Pm–Pb bond lengths are 3.52 Å. Pb is bonded to twelve equivalent Pm atoms to form a mixture of face and corner-sharing PbPm12 cuboctahedra.
DOI: 10.17188/1311846
title: Materials Data on Pr4Ge7 by Materials Project

description: Pr4Ge7 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. there are three inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to eleven Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.11–3.75 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.12–3.38 Å. In the third Pr site, Pr is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Pr–Ge bond distances ranging from 3.10–3.31 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Pr and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.50–2.76 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Pr and three Ge atoms. There are one shorter (2.60 Å) and one longer (2.61 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to six Pr and three Ge atoms. The Ge–Ge bond length is 3.06 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to six Pr and two equivalent Ge atoms.
DOI: 10.17188/1311847
title: Materials Data on Sm2TlCd by Materials Project

description: Sm2CdTl 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 Cd and four equivalent Tl atoms. All Sm–Cd bond lengths are 3.33 Å. All Sm–Tl bond lengths are 3.33 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.
DOI: 10.17188/1311848
title: Materials Data on Sr2AsAu (SG:225) 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: 10.17188/1311849
title: Materials Data on Sr2BiAu by Materials Project

description: Sr2AuBi 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 four equivalent Au and four equivalent Bi atoms. All Sr–Au bond lengths are 3.47 Å. All Sr–Bi bond lengths are 3.47 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Sr atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.
DOI: 10.17188/1311850
title: Materials Data on Sr(MgAs)2 (SG:164) 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: 10.17188/1311851
title: Materials Data on SrOsO3 by Materials Project

description: SrOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Sr–O bond lengths are 2.82 Å. Os4+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 2.00 Å. O2- is bonded to four equivalent Sr2+ and two equivalent Os4+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1311852
title: Materials Data on LiCd2Pd by Materials Project

description: LiPdCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Cd atoms. All Li–Cd bond lengths are 2.85 Å. Pd is bonded in a distorted body-centered cubic geometry to eight equivalent Cd atoms. All Pd–Cd bond lengths are 2.85 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pd atoms.
DOI: 10.17188/1311853
title: Materials Data on LiGaNi2 by Materials Project

description: LiNi2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Ga atoms. All Li–Ni bond lengths are 2.46 Å. All Li–Ga bond lengths are 2.85 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.46 Å. Ga is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Ni atoms.
DOI: 10.17188/1311854
title: Materials Data on LiGaPd2 by Materials Project

description: LiPd2Ga 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 and six equivalent Ga atoms. All Li–Pd bond lengths are 2.63 Å. All Li–Ga bond lengths are 3.04 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Pd–Ga bond lengths are 2.63 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Pd atoms.
DOI: 10.17188/1311855
title: Materials Data on Pm3Tl by Materials Project

description: Pm3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pm is bonded to eight equivalent Pm and four equivalent Tl atoms to form distorted PmPm8Tl4 cuboctahedra that share corners with twelve equivalent PmPm8Tl4 cuboctahedra, edges with eight equivalent TlPm12 cuboctahedra, edges with sixteen equivalent PmPm8Tl4 cuboctahedra, faces with four equivalent TlPm12 cuboctahedra, and faces with fourteen equivalent PmPm8Tl4 cuboctahedra. All Pm–Pm bond lengths are 3.51 Å. All Pm–Tl bond lengths are 3.51 Å. Tl is bonded to twelve equivalent Pm atoms to form TlPm12 cuboctahedra that share corners with twelve equivalent TlPm12 cuboctahedra, edges with twenty-four equivalent PmPm8Tl4 cuboctahedra, faces with six equivalent TlPm12 cuboctahedra, and faces with twelve equivalent PmPm8Tl4 cuboctahedra.
DOI: 10.5281/zenodo.4482214
title: In situ oxidation of Ag0.98Pd0.02

description: In situ oxidation of Ag0.98Pd0.02
DOI: 10.17188/1311856
title: Materials Data on La2PdO4 by Materials Project

description: La2PdO4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. La3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.80 Å) La–O bond lengths. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent La3+ and two equivalent Pd2+ atoms to form distorted OLa4Pd2 octahedra that share corners with two equivalent OLa4Pd2 octahedra, corners with twelve equivalent OLa4 tetrahedra, edges with two equivalent OLa4Pd2 octahedra, edges with two equivalent OLa4 tetrahedra, and faces with four equivalent OLa4Pd2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with twelve equivalent OLa4Pd2 octahedra, corners with four equivalent OLa4 tetrahedra, edges with two equivalent OLa4Pd2 octahedra, and edges with four equivalent OLa4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–69°.
DOI: 10.5281/zenodo.4482213
title: In situ oxidation of Ag0.98Pd0.02

description: In situ oxidation of Ag0.98Pd0.02
DOI: 10.17188/1311857
title: Materials Data on CaInHg2 by Materials Project

description: CaHg2In is Heusler structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Hg and six equivalent In atoms. There are two shorter (3.16 Å) and six longer (3.23 Å) Ca–Hg bond lengths. All Ca–In bond lengths are 3.71 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent In atoms. There are one shorter (3.17 Å) and three longer (3.23 Å) Hg–In bond lengths. In is bonded in a distorted body-centered cubic geometry to six equivalent Ca and eight equivalent Hg atoms.
DOI: 10.17188/1311858
title: Materials Data on Sr by Materials Project

description: Sr is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded to twelve Sr atoms to form a mixture of face, edge, and corner-sharing SrSr12 cuboctahedra. All Sr–Sr bond lengths are 4.26 Å. In the second Sr site, Sr is bonded to twelve Sr atoms to form a mixture of face, edge, and corner-sharing SrSr12 cuboctahedra. All Sr–Sr bond lengths are 4.26 Å.
DOI: 10.17188/1311859
title: Materials Data on Sr2CdAs2 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: 10.17188/1311860
title: Materials Data on LiCd2Ag by Materials Project

description: LiAgCd2 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 six equivalent Ag and eight equivalent Cd atoms. All Li–Ag bond lengths are 3.36 Å. All Li–Cd bond lengths are 2.91 Å. Ag is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Cd atoms. All Ag–Cd bond lengths are 2.91 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ag atoms.
DOI: 10.17188/1311861
title: Materials Data on LiGa3 (SG:221) 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: 10.17188/1311862
title: Materials Data on LiCd2Pt by Materials Project

description: LiPtCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Cd atoms. All Li–Cd bond lengths are 2.85 Å. Pt is bonded in a distorted body-centered cubic geometry to eight equivalent Cd atoms. All Pt–Cd bond lengths are 2.85 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms.