cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1315905
title: Materials Data on Mg3Pb by Materials Project

description: Mg3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted square co-planar geometry to four equivalent Pb atoms. All Mg–Pb bond lengths are 3.23 Å. In the second Mg site, Mg is bonded to four equivalent Pb atoms to form a mixture of distorted corner and edge-sharing MgPb4 cuboctahedra. All Mg–Pb bond lengths are 3.26 Å. Pb is bonded to twelve Mg atoms to form a mixture of corner, edge, and face-sharing PbMg12 cuboctahedra.
DOI: 10.17188/1315906
title: Materials Data on Mg3Sn by Materials Project

description: Mg3Sn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with twelve equivalent MgMg8Sn4 cuboctahedra, edges with eight equivalent SnMg12 cuboctahedra, edges with sixteen equivalent MgMg8Sn4 cuboctahedra, faces with four equivalent SnMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Sn4 cuboctahedra. All Mg–Mg bond lengths are 3.18 Å. All Mg–Sn bond lengths are 3.18 Å. Sn is bonded to twelve equivalent Mg atoms to form SnMg12 cuboctahedra that share corners with twelve equivalent SnMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Sn4 cuboctahedra, faces with six equivalent SnMg12 cuboctahedra, and faces with twelve equivalent MgMg8Sn4 cuboctahedra.
DOI: 10.17188/1315907
title: Materials Data on Ba3(AsO4)2 by Materials Project

description: Ba3(AsO4)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.61–2.99 Å. In the second Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to six equivalent O2- atoms. All Ba–O bond lengths are 2.80 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.72 Å) and three longer (1.73 Å) As–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Ba2+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to four Ba2+ and one As5+ atom.
DOI: 10.17188/1315908
title: Materials Data on Mg3Ta by Materials Project

description: Mg3Ta is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Ta atoms to form MgMg8Ta4 cuboctahedra that share corners with twelve equivalent MgMg8Ta4 cuboctahedra, edges with eight equivalent TaMg12 cuboctahedra, edges with sixteen equivalent MgMg8Ta4 cuboctahedra, faces with four equivalent TaMg12 cuboctahedra, and faces with fourteen equivalent MgMg8Ta4 cuboctahedra. All Mg–Mg bond lengths are 3.04 Å. All Mg–Ta bond lengths are 3.04 Å. Ta is bonded to twelve equivalent Mg atoms to form TaMg12 cuboctahedra that share corners with twelve equivalent TaMg12 cuboctahedra, edges with twenty-four equivalent MgMg8Ta4 cuboctahedra, faces with six equivalent TaMg12 cuboctahedra, and faces with twelve equivalent MgMg8Ta4 cuboctahedra.
DOI: 10.17188/1315909
title: Materials Data on BaBAsO5 by Materials Project

description: BaBAsO5 crystallizes in the trigonal P3_1 space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.69–3.06 Å. B3+ is bonded to four O2- atoms to form BO4 tetrahedra that share corners with two equivalent BO4 tetrahedra and corners with two equivalent AsO4 tetrahedra. There is two shorter (1.46 Å) and two longer (1.54 Å) B–O bond length. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent BO4 tetrahedra. There is two shorter (1.68 Å) and two longer (1.77 Å) As–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+ and two equivalent B3+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+, one B3+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Ba2+, one B3+, and one As5+ atom.
DOI: 10.17188/1315910
title: Materials Data on SiPbO3 by Materials Project

description: PbSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Pb–O bond lengths are 2.65 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.87 Å. O2- is bonded in a linear geometry to four equivalent Pb2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1315911
title: Materials Data on SiPdO3 by Materials Project

description: PdSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pd2+ is bonded to twelve equivalent O2- atoms to form PdO12 cuboctahedra that share corners with twelve equivalent PdO12 cuboctahedra, faces with six equivalent PdO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Pd–O bond lengths are 2.54 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent PdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.80 Å. O2- is bonded in a distorted linear geometry to four equivalent Pd2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1315912
title: Materials Data on SiSnO3 by Materials Project

description: SnSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sn2+ is bonded to twelve equivalent O2- atoms to form SnO12 cuboctahedra that share corners with twelve equivalent SnO12 cuboctahedra, faces with six equivalent SnO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Sn–O bond lengths are 2.62 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent SnO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.86 Å. O2- is bonded in a distorted linear geometry to four equivalent Sn2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1315913
title: Materials Data on SiSn3 by Materials Project

description: Sn3Si is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sn is bonded to eight equivalent Sn and four equivalent Si atoms to form distorted SnSi4Sn8 cuboctahedra that share corners with twelve equivalent SnSi4Sn8 cuboctahedra, edges with eight equivalent SiSn12 cuboctahedra, edges with sixteen equivalent SnSi4Sn8 cuboctahedra, faces with four equivalent SiSn12 cuboctahedra, and faces with fourteen equivalent SnSi4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.29 Å. All Sn–Si bond lengths are 3.29 Å. Si is bonded to twelve equivalent Sn atoms to form distorted SiSn12 cuboctahedra that share corners with twelve equivalent SiSn12 cuboctahedra, edges with twenty-four equivalent SnSi4Sn8 cuboctahedra, faces with six equivalent SiSn12 cuboctahedra, and faces with twelve equivalent SnSi4Sn8 cuboctahedra.
DOI: 10.17188/1315914
title: Materials Data on SiB by Materials Project

description: BSi is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. B is bonded to four equivalent Si atoms to form corner-sharing BSi4 tetrahedra. There are one shorter (1.99 Å) and three longer (2.06 Å) B–Si bond lengths. Si is bonded to four equivalent B atoms to form corner-sharing SiB4 tetrahedra.
DOI: 10.17188/1315915
title: Materials Data on SiB4 by Materials Project

description: SiB4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to five B and two Si atoms. There are a spread of B–B bond distances ranging from 1.75–1.86 Å. There are one shorter (2.01 Å) and one longer (2.63 Å) B–Si bond lengths. In the second B site, B is bonded in a 6-coordinate geometry to six B atoms. There is one shorter (1.85 Å) and two longer (1.92 Å) B–B bond length. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to three equivalent B and one Si atom. The Si–Si bond length is 2.17 Å. In the second Si site, Si is bonded in a 2-coordinate geometry to six equivalent B and two equivalent Si atoms.
DOI: 10.17188/1315916
title: Materials Data on Si3H by Materials Project

description: (Si)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrogen molecules and one Si framework. In the Si framework, there are two inequivalent Si sites. In the first Si site, Si is bonded to four equivalent Si atoms to form a mixture of distorted edge and corner-sharing SiSi4 tetrahedra. All Si–Si bond lengths are 2.51 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms.
DOI: 10.17188/1315917
title: Materials Data on Sc3Al by Materials Project

description: Sc3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to eight equivalent Sc and four equivalent Al atoms to form ScSc8Al4 cuboctahedra that share corners with twelve equivalent ScSc8Al4 cuboctahedra, edges with eight equivalent AlSc12 cuboctahedra, edges with sixteen equivalent ScSc8Al4 cuboctahedra, faces with four equivalent AlSc12 cuboctahedra, and faces with fourteen equivalent ScSc8Al4 cuboctahedra. All Sc–Sc bond lengths are 3.13 Å. All Sc–Al bond lengths are 3.13 Å. Al is bonded to twelve equivalent Sc atoms to form AlSc12 cuboctahedra that share corners with twelve equivalent AlSc12 cuboctahedra, edges with twenty-four equivalent ScSc8Al4 cuboctahedra, faces with six equivalent AlSc12 cuboctahedra, and faces with twelve equivalent ScSc8Al4 cuboctahedra.
DOI: 10.17188/1315918
title: Materials Data on SiAs3 by Materials Project

description: SiAs(As)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two As sheets oriented in the (0, 0, 1) direction and two SiAs sheets oriented in the (0, 0, 1) direction. In each As sheet, As+1.33- is bonded in a square co-planar geometry to four equivalent As+1.33- atoms. All As–As bond lengths are 2.65 Å. In each SiAs sheet, Si4+ is bonded in a square co-planar geometry to four equivalent As+1.33- atoms. All Si–As bond lengths are 2.65 Å. As+1.33- is bonded in a square co-planar geometry to four equivalent Si4+ atoms.
DOI: 10.17188/1315919
title: Materials Data on BaHo2PdO5 by Materials Project

description: Ho2BaPdO5 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten O2- atoms. All Ba–O bond lengths are 2.96 Å. Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.22–2.51 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ba2+ and four equivalent Ho3+ atoms to form distorted corner-sharing OBa2Ho4 octahedra. The corner-sharing octahedra tilt angles range from 0–34°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Ba2+, three equivalent Ho3+, and one Pd2+ atom.
DOI: 10.17188/1315920
title: Materials Data on Si2TcOs by Materials Project

description: TcOsSi2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc3- is bonded in a 8-coordinate geometry to six equivalent Os3+ and eight equivalent Si atoms. All Tc–Os bond lengths are 2.96 Å. All Tc–Si bond lengths are 2.57 Å. Os3+ is bonded in a 8-coordinate geometry to six equivalent Tc3- and eight equivalent Si atoms. All Os–Si bond lengths are 2.57 Å. Si is bonded in a 8-coordinate geometry to four equivalent Tc3- and four equivalent Os3+ atoms.
DOI: 10.17188/1315921
title: Materials Data on Si3Se by Materials Project

description: Si3Se is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted body-centered cubic geometry to four equivalent Si+1.33- and four equivalent Se4+ atoms. All Si–Si bond lengths are 2.78 Å. All Si–Se bond lengths are 2.78 Å. In the second Si+1.33- site, Si+1.33- is bonded in a body-centered cubic geometry to eight equivalent Si+1.33- atoms. Se4+ is bonded in a body-centered cubic geometry to eight equivalent Si+1.33- atoms.
DOI: 10.17188/1315922
title: Materials Data on SmAs3 by Materials Project

description: SmAs3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm3+ is bonded to twelve equivalent As1- atoms to form a mixture of corner and face-sharing SmAs12 cuboctahedra. All Sm–As bond lengths are 3.12 Å. As1- is bonded in a square co-planar geometry to four equivalent Sm3+ atoms.
DOI: 10.17188/1315923
title: Materials Data on SmBeO3 by Materials Project

description: BeSmO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.81 Å. Sm is bonded to twelve equivalent O atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Sm–O bond lengths are 2.56 Å. O is bonded in a distorted linear geometry to two equivalent Be and four equivalent Sm atoms.
DOI: 10.17188/1315924
title: Materials Data on SmGaO3 by Materials Project

description: SmGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm3+ is bonded to twelve equivalent O2- atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent GaO6 octahedra. All Sm–O bond lengths are 2.73 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–O bond lengths are 1.93 Å. O2- is bonded in a distorted linear geometry to four equivalent Sm3+ and two equivalent Ga3+ atoms.
DOI: 10.17188/1315925
title: Materials Data on SmLuRu2 by Materials Project

description: LuSmRu2 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 2.94 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sm–Ru bond lengths are 2.94 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sm atoms.
DOI: 10.17188/1315926
title: Materials Data on SmSiO3 by Materials Project

description: SmSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm2+ is bonded to twelve equivalent O2- atoms to form SmO12 cuboctahedra that share corners with twelve equivalent SmO12 cuboctahedra, faces with six equivalent SmO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Sm–O bond lengths are 2.66 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent SmO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.88 Å. O2- is bonded in a distorted linear geometry to four equivalent Sm2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1315927
title: Materials Data on SmTh3 by Materials Project

description: Th3Sm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Th is bonded to eight equivalent Th and four equivalent Sm atoms to form ThSm4Th8 cuboctahedra that share corners with twelve equivalent ThSm4Th8 cuboctahedra, edges with eight equivalent SmTh12 cuboctahedra, edges with sixteen equivalent ThSm4Th8 cuboctahedra, faces with four equivalent SmTh12 cuboctahedra, and faces with fourteen equivalent ThSm4Th8 cuboctahedra. All Th–Th bond lengths are 3.57 Å. All Th–Sm bond lengths are 3.57 Å. Sm is bonded to twelve equivalent Th atoms to form SmTh12 cuboctahedra that share corners with twelve equivalent SmTh12 cuboctahedra, edges with twenty-four equivalent ThSm4Th8 cuboctahedra, faces with six equivalent SmTh12 cuboctahedra, and faces with twelve equivalent ThSm4Th8 cuboctahedra.
DOI: 10.17188/1315928
title: Materials Data on Si3Ru by Materials Project

description: RuSi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ru4+ is bonded in a distorted body-centered cubic geometry to fourteen Si+1.33- atoms. There are eight shorter (2.61 Å) and six longer (3.01 Å) Ru–Si bond lengths. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a distorted body-centered cubic geometry to four equivalent Ru4+ and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.61 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to six equivalent Ru4+ and eight equivalent Si+1.33- atoms.
DOI: 10.17188/1315929
title: Materials Data on Si3As by Materials Project

description: Si3As crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Si is bonded in a 12-coordinate geometry to six equivalent Si and four equivalent As atoms. There are two shorter (2.68 Å) and four longer (2.78 Å) Si–Si bond lengths. There are two shorter (2.83 Å) and two longer (2.89 Å) Si–As bond lengths. As is bonded to twelve equivalent Si atoms to form a mixture of face and corner-sharing AsSi12 cuboctahedra.
DOI: 10.17188/1315930
title: Materials Data on SmPa3 by Materials Project

description: Pa3Sm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Sm atoms to form PaSm4Pa8 cuboctahedra that share corners with twelve equivalent PaSm4Pa8 cuboctahedra, edges with eight equivalent SmPa12 cuboctahedra, edges with sixteen equivalent PaSm4Pa8 cuboctahedra, faces with four equivalent SmPa12 cuboctahedra, and faces with fourteen equivalent PaSm4Pa8 cuboctahedra. All Pa–Pa bond lengths are 3.34 Å. All Pa–Sm bond lengths are 3.34 Å. Sm is bonded to twelve equivalent Pa atoms to form SmPa12 cuboctahedra that share corners with twelve equivalent SmPa12 cuboctahedra, edges with twenty-four equivalent PaSm4Pa8 cuboctahedra, faces with six equivalent SmPa12 cuboctahedra, and faces with twelve equivalent PaSm4Pa8 cuboctahedra.
DOI: 10.17188/1315931
title: Materials Data on SmTmMg2 by Materials Project

description: Mg2TmSm 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 Tm and four equivalent Sm atoms. All Mg–Tm bond lengths are 3.29 Å. All Mg–Sm bond lengths are 3.29 Å. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Sm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1315932
title: Materials Data on SmErMg2 by Materials Project

description: Mg2ErSm 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 Er and four equivalent Sm atoms. All Mg–Er bond lengths are 3.29 Å. All Mg–Sm bond lengths are 3.29 Å. Er is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Sm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1315933
title: Materials Data on SmTm3 by Materials Project

description: Tm3Sm is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to eight equivalent Tm and four equivalent Sm atoms to form TmSm4Tm8 cuboctahedra that share corners with twelve equivalent TmSm4Tm8 cuboctahedra, edges with eight equivalent SmTm12 cuboctahedra, edges with sixteen equivalent TmSm4Tm8 cuboctahedra, faces with four equivalent SmTm12 cuboctahedra, and faces with fourteen equivalent TmSm4Tm8 cuboctahedra. All Tm–Tm bond lengths are 3.52 Å. All Tm–Sm bond lengths are 3.52 Å. Sm is bonded to twelve equivalent Tm atoms to form SmTm12 cuboctahedra that share corners with twelve equivalent SmTm12 cuboctahedra, edges with twenty-four equivalent TmSm4Tm8 cuboctahedra, faces with six equivalent SmTm12 cuboctahedra, and faces with twelve equivalent TmSm4Tm8 cuboctahedra.
DOI: 10.17188/1315934
title: Materials Data on SmAg2Hg by Materials Project

description: SmAg2Hg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a distorted body-centered cubic geometry to eight equivalent Ag and six equivalent Hg atoms. All Sm–Ag bond lengths are 3.07 Å. All Sm–Hg bond lengths are 3.55 Å. Ag is bonded in a distorted body-centered cubic geometry to four equivalent Sm and four equivalent Hg atoms. All Ag–Hg bond lengths are 3.07 Å. Hg is bonded in a 8-coordinate geometry to six equivalent Sm and eight equivalent Ag atoms.
DOI: 10.17188/1315935
title: Materials Data on SmCdPd2 by Materials Project

description: SmPd2Cd 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 Pd atoms. All Sm–Pd bond lengths are 2.98 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Cd atoms. All Pd–Cd bond lengths are 2.98 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.