cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1313885
title: Materials Data on UCd(PbO3)2 by Materials Project

description: Pb2CdUO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of U–O bond distances ranging from 2.08–2.13 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of Cd–O bond distances ranging from 2.35–2.39 Å. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.44–3.02 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one U6+, one Cd2+, and three equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one U6+, one Cd2+, and three equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one U6+, one Cd2+, and two equivalent Pb2+ atoms.
DOI: 10.17188/1313886
title: Materials Data on SmLuMg2 by Materials Project

description: Mg2LuSm is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Sm atoms. All Mg–Lu bond lengths are 3.28 Å. All Mg–Sm bond lengths are 3.28 Å. Lu 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: 10.17188/1313887
title: Materials Data on SmHgAu2 by Materials Project

description: SmAu2Hg 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 Hg atoms. All Au–Hg bond lengths are 3.07 Å. Hg is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1313888
title: Materials Data on SmGaAu2 by Materials Project

description: SmAu2Ga 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 3.02 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Ga atoms. All Au–Ga bond lengths are 3.02 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1313889
title: Materials Data on SmErZn2 by Materials Project

description: ErSmZn2 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 Zn atoms. All Er–Zn bond lengths are 3.11 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Sm–Zn bond lengths are 3.11 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Sm atoms.
DOI: 10.17188/1313890
title: Materials Data on Zr2Co12P7 by Materials Project

description: Zr2Co12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded to six equivalent P3- atoms to form distorted ZrP6 pentagonal pyramids that share corners with six equivalent CoP5 square pyramids, corners with twelve CoP4 tetrahedra, edges with twelve CoP4 tetrahedra, and faces with two equivalent ZrP6 pentagonal pyramids. All Zr–P bond lengths are 2.80 Å. In the second Zr2+ site, Zr2+ is bonded to six equivalent P3- atoms to form distorted ZrP6 pentagonal pyramids that share corners with six equivalent CoP5 square pyramids, corners with twelve CoP4 tetrahedra, edges with three equivalent CoP5 square pyramids, edges with nine CoP4 tetrahedra, and faces with two equivalent ZrP6 pentagonal pyramids. All Zr–P bond lengths are 2.78 Å. There are four inequivalent Co+1.42+ sites. In the first Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent ZrP6 pentagonal pyramids, corners with two equivalent CoP5 square pyramids, corners with twelve CoP4 tetrahedra, edges with three ZrP6 pentagonal pyramids, edges with two equivalent CoP5 square pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.18–2.31 Å. In the second Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent ZrP6 pentagonal pyramids, corners with four equivalent CoP5 square pyramids, corners with ten CoP4 tetrahedra, edges with three ZrP6 pentagonal pyramids, an edgeedge with one CoP5 square pyramid, and edges with four CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.20–2.28 Å. In the third Co+1.42+ site, Co+1.42+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four ZrP6 pentagonal pyramids, corners with two equivalent CoP5 square pyramids, corners with ten CoP4 tetrahedra, an edgeedge with one ZrP6 pentagonal pyramid, edges with four equivalent CoP5 square pyramids, and edges with three CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.15–2.25 Å. In the fourth Co+1.42+ site, Co+1.42+ is bonded to five P3- atoms to form distorted CoP5 square pyramids that share corners with four ZrP6 pentagonal pyramids, corners with four equivalent CoP5 square pyramids, corners with eight CoP4 tetrahedra, an edgeedge with one ZrP6 pentagonal pyramid, edges with four equivalent CoP5 square pyramids, and edges with seven CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.24–2.51 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Zr2+ and seven Co+1.42+ atoms. In the second P3- site, P3- is bonded in a 3-coordinate geometry to nine Co+1.42+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Zr2+ and seven Co+1.42+ atoms.
DOI: 10.17188/1313891
title: Materials Data on SmErRu2 by Materials Project

description: ErSmRu2 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 2.96 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sm–Ru bond lengths are 2.96 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Sm atoms.
DOI: 10.17188/1313892
title: Materials Data on SmErHg2 by Materials Project

description: ErSmHg2 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 Hg atoms. All Er–Hg bond lengths are 3.25 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sm–Hg bond lengths are 3.25 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Sm atoms.
DOI: 10.17188/1313893
title: Materials Data on SmDyIr2 by Materials Project

description: DySmIr2 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 Ir atoms. All Dy–Ir bond lengths are 3.00 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sm–Ir bond lengths are 3.00 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Sm atoms.
DOI: 10.17188/1313894
title: Materials Data on SmDyZn2 by Materials Project

description: DySmZn2 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 Zn atoms. All Dy–Zn bond lengths are 3.13 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Sm–Zn bond lengths are 3.13 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Sm atoms.
DOI: 10.17188/1313895
title: Materials Data on SmHoIr2 by Materials Project

description: HoSmIr2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ho–Ir bond lengths are 3.00 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Sm–Ir bond lengths are 3.00 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Sm atoms.
DOI: 10.17188/1313896
title: Materials Data on SmHoRu2 by Materials Project

description: HoSmRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ho–Ru bond lengths are 2.97 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sm–Ru bond lengths are 2.97 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Sm atoms.
DOI: 10.17188/1313897
title: Materials Data on SmDyRh2 by Materials Project

description: DySmRh2 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 3.00 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sm–Rh bond lengths are 3.00 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Sm atoms.
DOI: 10.17188/1313898
title: Materials Data on SmHoTl2 by Materials Project

description: HoSmTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ho–Tl bond lengths are 3.31 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Sm–Tl bond lengths are 3.31 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Sm atoms.
DOI: 10.17188/1313899
title: Materials Data on SmBiAu2 by Materials Project

description: SmAu2Bi 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 3.15 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Bi atoms. All Au–Bi bond lengths are 3.15 Å. Bi is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1313900
title: Materials Data on SmBi3 by Materials Project

description: SmBi3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Bi atoms to form a mixture of edge, corner, and face-sharing SmBi12 cuboctahedra. There are four shorter (3.33 Å) and eight longer (3.65 Å) Sm–Bi bond lengths. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 12-coordinate geometry to four equivalent Sm and four equivalent Bi atoms. All Bi–Bi bond lengths are 3.33 Å. In the second Bi site, Bi is bonded in a square co-planar geometry to four equivalent Sm atoms.
DOI: 10.17188/1313901
title: Materials Data on SmCoSi3 by Materials Project

description: SmCoSi3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sm3+ is bonded to twelve Si+1.33- atoms to form a mixture of corner, edge, and face-sharing SmSi12 cuboctahedra. There are a spread of Sm–Si bond distances ranging from 2.99–3.19 Å. Co1+ is bonded in a 5-coordinate geometry to five Si+1.33- atoms. There are one shorter (2.24 Å) and four longer (2.26 Å) Co–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 2-coordinate geometry to four equivalent Sm3+, two equivalent Co1+, and two equivalent Si+1.33- atoms. Both Si–Si bond lengths are 2.59 Å. In the second Si+1.33- site, Si+1.33- is bonded in a 9-coordinate geometry to four equivalent Sm3+, one Co1+, and four equivalent Si+1.33- atoms.
DOI: 10.17188/1313902
title: Materials Data on SmHoRh2 by Materials Project

description: HoSmRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ho–Rh bond lengths are 3.00 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sm–Rh bond lengths are 3.00 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Sm atoms.
DOI: 10.17188/1313903
title: Materials Data on Sm2Fe17C3 by Materials Project

description: Sm2Fe17C3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a distorted trigonal planar geometry to four Fe and three equivalent C atoms. There are one shorter (3.11 Å) and three longer (3.35 Å) Sm–Fe bond lengths. All Sm–C bond lengths are 2.51 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm and ten Fe atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with four equivalent FeSm2Fe10 cuboctahedra, corners with two equivalent CSm2Fe4 octahedra, faces with four equivalent FeSm2Fe10 cuboctahedra, and faces with four equivalent CSm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Fe–Fe bond distances ranging from 2.45–2.67 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.74 Å. The Fe–C bond length is 1.88 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. The Fe–Fe bond length is 2.66 Å. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Sm and thirteen Fe atoms. The Fe–Fe bond length is 2.37 Å. C is bonded to two equivalent Sm and four Fe atoms to form CSm2Fe4 octahedra that share corners with two equivalent FeSm2Fe10 cuboctahedra, corners with four equivalent CSm2Fe4 octahedra, and faces with four equivalent FeSm2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.
DOI: 10.17188/1313904
title: Materials Data on SmTh by Materials Project

description: ThSm is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Th is bonded to six equivalent Th and six equivalent Sm atoms to form ThSm6Th6 cuboctahedra that share corners with eighteen equivalent ThSm6Th6 cuboctahedra, edges with six equivalent ThSm6Th6 cuboctahedra, edges with twelve equivalent SmSm6Th6 cuboctahedra, faces with eight equivalent ThSm6Th6 cuboctahedra, and faces with twelve equivalent SmSm6Th6 cuboctahedra. All Th–Th bond lengths are 3.57 Å. All Th–Sm bond lengths are 3.63 Å. Sm is bonded to six equivalent Th and six equivalent Sm atoms to form SmSm6Th6 cuboctahedra that share corners with eighteen equivalent SmSm6Th6 cuboctahedra, edges with six equivalent SmSm6Th6 cuboctahedra, edges with twelve equivalent ThSm6Th6 cuboctahedra, faces with eight equivalent SmSm6Th6 cuboctahedra, and faces with twelve equivalent ThSm6Th6 cuboctahedra. All Sm–Sm bond lengths are 3.57 Å.
DOI: 10.17188/1313905
title: Materials Data on SnPb by Materials Project

description: SnPb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Pb is bonded to six equivalent Pb and six equivalent Sn atoms to form PbSn6Pb6 cuboctahedra that share corners with twelve equivalent SnPb6 cuboctahedra, corners with eighteen equivalent PbSn6Pb6 cuboctahedra, edges with six equivalent PbSn6Pb6 cuboctahedra, edges with twelve equivalent SnPb6 cuboctahedra, and faces with eight equivalent PbSn6Pb6 cuboctahedra. All Pb–Pb bond lengths are 3.48 Å. All Pb–Sn bond lengths are 3.49 Å. Sn is bonded to six equivalent Pb atoms to form distorted SnPb6 cuboctahedra that share corners with twelve equivalent PbSn6Pb6 cuboctahedra, corners with twelve equivalent SnPb6 cuboctahedra, edges with six equivalent SnPb6 cuboctahedra, edges with twelve equivalent PbSn6Pb6 cuboctahedra, and faces with two equivalent SnPb6 cuboctahedra.
DOI: 10.17188/1313906
title: Materials Data on SmAs3 by Materials Project

description: SmAs3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm3+ is bonded to twelve As1- atoms to form a mixture of edge, face, and corner-sharing SmAs12 cuboctahedra. There are four shorter (2.93 Å) and eight longer (3.26 Å) Sm–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to four equivalent Sm3+ and four equivalent As1- atoms. All As–As bond lengths are 2.93 Å. In the second As1- site, As1- is bonded in a square co-planar geometry to four equivalent Sm3+ atoms.
DOI: 10.17188/1313907
title: Materials Data on Si3B by Materials Project

description: BSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. B is bonded to twelve equivalent Si atoms to form BSi12 cuboctahedra that share corners with six equivalent BSi12 cuboctahedra, corners with twelve equivalent SiSi8B4 cuboctahedra, edges with eighteen equivalent SiSi8B4 cuboctahedra, faces with eight equivalent BSi12 cuboctahedra, and faces with twelve equivalent SiSi8B4 cuboctahedra. There are six shorter (2.51 Å) and six longer (2.64 Å) B–Si bond lengths. Si is bonded to four equivalent B and eight equivalent Si atoms to form distorted SiSi8B4 cuboctahedra that share corners with four equivalent BSi12 cuboctahedra, corners with fourteen equivalent SiSi8B4 cuboctahedra, edges with six equivalent BSi12 cuboctahedra, edges with twelve equivalent SiSi8B4 cuboctahedra, faces with four equivalent BSi12 cuboctahedra, and faces with sixteen equivalent SiSi8B4 cuboctahedra. There are a spread of Si–Si bond distances ranging from 2.47–2.67 Å.
DOI: 10.17188/1313908
title: Materials Data on Si3P by Materials Project

description: Si3P 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 P4+ atoms. All Si–Si bond lengths are 2.66 Å. All Si–P bond lengths are 2.66 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. P4+ is bonded in a body-centered cubic geometry to eight equivalent Si+1.33- atoms.
DOI: 10.17188/1313909
title: Materials Data on SmBr by Materials Project

description: SmBr is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Br atoms. All Sm–Br bond lengths are 3.12 Å. Br is bonded in a 6-coordinate geometry to six equivalent Sm atoms.
DOI: 10.17188/1313910
title: Materials Data on Si3W by Materials Project

description: WSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. W4+ is bonded to twelve equivalent Si+1.33- atoms to form a mixture of face and corner-sharing WSi12 cuboctahedra. There are six shorter (2.63 Å) and six longer (2.79 Å) W–Si bond lengths. Si+1.33- is bonded in a 12-coordinate geometry to four equivalent W4+ and eight equivalent Si+1.33- atoms. There are a spread of Si–Si bond distances ranging from 2.47–2.89 Å.
DOI: 10.17188/1313911
title: Materials Data on Si3Ge by Materials Project

description: GeSi3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ge4+ is bonded in a body-centered cubic geometry to eight equivalent Si+1.33- atoms. All Ge–Si bond lengths are 2.74 Å. There are two inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a body-centered cubic geometry to four equivalent Ge4+ and four equivalent Si+1.33- atoms. All Si–Si bond lengths are 2.74 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.
DOI: 10.17188/1313912
title: Materials Data on Si3As by Materials Project

description: Si3As is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Si sites. In the first Si site, Si is bonded in a body-centered cubic geometry to four equivalent Si and four equivalent As atoms. All Si–Si bond lengths are 2.75 Å. All Si–As bond lengths are 2.75 Å. In the second Si site, Si is bonded in a body-centered cubic geometry to eight equivalent Si atoms. As is bonded in a body-centered cubic geometry to eight equivalent Si atoms.