cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316085
title: Materials Data on Tm2Co12P7 by Materials Project

description: Tm2Co12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six equivalent P3- atoms to form distorted TmP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, corners with six equivalent CoP5 trigonal bipyramids, edges with twelve CoP4 tetrahedra, and faces with two equivalent TmP6 pentagonal pyramids. All Tm–P bond lengths are 2.83 Å. In the second Tm3+ site, Tm3+ is bonded to six equivalent P3- atoms to form distorted TmP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, corners with six equivalent CoP5 trigonal bipyramids, edges with nine CoP4 tetrahedra, edges with three equivalent CoP5 trigonal bipyramids, and faces with two equivalent TmP6 pentagonal pyramids. All Tm–P bond lengths are 2.81 Å. There are four inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent TmP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, corners with two equivalent CoP5 trigonal bipyramids, edges with three TmP6 pentagonal pyramids, edges with three CoP4 tetrahedra, and edges with two equivalent CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.23–2.30 Å. In the second Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent TmP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, corners with four equivalent CoP5 trigonal bipyramids, edges with three TmP6 pentagonal pyramids, edges with four CoP4 tetrahedra, and an edgeedge with one CoP5 trigonal bipyramid. There are a spread of Co–P bond distances ranging from 2.23–2.29 Å. In the third Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four TmP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, corners with two equivalent CoP5 trigonal bipyramids, an edgeedge with one TmP6 pentagonal pyramid, edges with three CoP4 tetrahedra, and edges with four equivalent CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.14–2.26 Å. In the fourth Co+1.25+ site, Co+1.25+ is bonded to five P3- atoms to form distorted CoP5 trigonal bipyramids that share corners with four TmP6 pentagonal pyramids, corners with eight CoP4 tetrahedra, corners with four equivalent CoP5 trigonal bipyramids, an edgeedge with one TmP6 pentagonal pyramid, edges with seven CoP4 tetrahedra, and edges with four equivalent CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.23–2.57 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 3-coordinate geometry to nine Co+1.25+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Tm3+ and seven Co+1.25+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Tm3+ and seven Co+1.25+ atoms.
DOI: 10.17188/1316086
title: Materials Data on Sm2ZnAg by Materials Project

description: Sm2AgZn 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 Ag and four equivalent Zn atoms. All Sm–Ag bond lengths are 3.19 Å. All Sm–Zn bond lengths are 3.19 Å. Ag 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: 10.17188/1316087
title: Materials Data on TmO3 by Materials Project

description: TmO3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a distorted body-centered cubic geometry to fourteen O atoms. There are eight shorter (2.39 Å) and six longer (2.76 Å) Tm–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Tm atoms to form OTm4 tetrahedra that share corners with twelve equivalent OTm6 octahedra, corners with sixteen equivalent OTm4 tetrahedra, edges with six equivalent OTm4 tetrahedra, and faces with four equivalent OTm6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second O site, O is bonded to six equivalent Tm atoms to form OTm6 octahedra that share corners with six equivalent OTm6 octahedra, corners with twenty-four equivalent OTm4 tetrahedra, edges with twelve equivalent OTm6 octahedra, and faces with eight equivalent OTm4 tetrahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1316088
title: Materials Data on TmMg5 by Materials Project

description: Mg5Tm is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Tm atoms to form MgTm3Mg9 cuboctahedra that share corners with eighteen MgTm3Mg9 cuboctahedra, edges with six equivalent TmTm6Mg6 cuboctahedra, edges with twelve MgTm3Mg9 cuboctahedra, faces with six equivalent TmTm6Mg6 cuboctahedra, and faces with fourteen MgTm3Mg9 cuboctahedra. There are three shorter (3.19 Å) and six longer (3.25 Å) Mg–Mg bond lengths. All Mg–Tm bond lengths are 3.37 Å. In the second Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent TmTm6Mg6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with eighteen MgTm3Mg9 cuboctahedra, a faceface with one TmTm6Mg6 cuboctahedra, and faces with nineteen MgTm3Mg9 cuboctahedra. There are three shorter (3.18 Å) and six longer (3.25 Å) Mg–Mg bond lengths. In the third Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgTm3Mg9 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, and faces with twenty MgTm3Mg9 cuboctahedra. There are three shorter (3.18 Å) and six longer (3.25 Å) Mg–Mg bond lengths. In the fourth Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with six equivalent TmTm6Mg6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with eighteen MgTm3Mg9 cuboctahedra, a faceface with one TmTm6Mg6 cuboctahedra, and faces with nineteen MgTm3Mg9 cuboctahedra. There are three shorter (3.19 Å) and six longer (3.25 Å) Mg–Mg bond lengths. Tm is bonded to six equivalent Mg and six equivalent Tm atoms to form TmTm6Mg6 cuboctahedra that share corners with six equivalent TmTm6Mg6 cuboctahedra, corners with twelve MgMg12 cuboctahedra, edges with six equivalent TmTm6Mg6 cuboctahedra, edges with twelve equivalent MgTm3Mg9 cuboctahedra, faces with six equivalent TmTm6Mg6 cuboctahedra, and faces with fourteen MgTm3Mg9 cuboctahedra. All Tm–Tm bond lengths are 3.25 Å.
DOI: 10.17188/1316089
title: Materials Data on Tl3AsS3 by Materials Project

description: Tl3AsS3 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Tl1+ is bonded in a 5-coordinate geometry to five equivalent S2- atoms. There are a spread of Tl–S bond distances ranging from 3.06–3.64 Å. As3+ is bonded in a trigonal non-coplanar geometry to three equivalent S2- atoms. All As–S bond lengths are 2.28 Å. S2- is bonded in a 1-coordinate geometry to five equivalent Tl1+ and one As3+ atom.
DOI: 10.17188/1316090
title: Materials Data on Th3U by Materials Project

description: UTh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded to twelve equivalent Th atoms to form UTh12 cuboctahedra that share corners with twelve equivalent UTh12 cuboctahedra, edges with twenty-four equivalent ThTh8U4 cuboctahedra, faces with six equivalent UTh12 cuboctahedra, and faces with twelve equivalent ThTh8U4 cuboctahedra. All U–Th bond lengths are 3.48 Å. Th is bonded to four equivalent U and eight equivalent Th atoms to form ThTh8U4 cuboctahedra that share corners with twelve equivalent ThTh8U4 cuboctahedra, edges with eight equivalent UTh12 cuboctahedra, edges with sixteen equivalent ThTh8U4 cuboctahedra, faces with four equivalent UTh12 cuboctahedra, and faces with fourteen equivalent ThTh8U4 cuboctahedra. All Th–Th bond lengths are 3.48 Å.
DOI: 10.17188/1316091
title: Materials Data on Ti2Ag by Materials Project

description: Ti2Ag crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ag atoms to form distorted TiTi8Ag4 cuboctahedra that share corners with four equivalent AgTi8Ag4 cuboctahedra, corners with eight equivalent TiTi8Ag4 cuboctahedra, edges with twelve equivalent TiTi8Ag4 cuboctahedra, edges with twelve equivalent AgTi8Ag4 cuboctahedra, faces with five equivalent AgTi8Ag4 cuboctahedra, and faces with thirteen equivalent TiTi8Ag4 cuboctahedra. There are four shorter (2.80 Å) and four longer (2.93 Å) Ti–Ti bond lengths. All Ti–Ag bond lengths are 2.95 Å. Ag is bonded to eight equivalent Ti and four equivalent Ag atoms to form AgTi8Ag4 cuboctahedra that share corners with four equivalent AgTi8Ag4 cuboctahedra, corners with eight equivalent TiTi8Ag4 cuboctahedra, edges with twenty-four equivalent TiTi8Ag4 cuboctahedra, faces with eight equivalent AgTi8Ag4 cuboctahedra, and faces with ten equivalent TiTi8Ag4 cuboctahedra. All Ag–Ag bond lengths are 2.93 Å.
DOI: 10.17188/1316092
title: Materials Data on Th3Br by Materials Project

description: Th3Br is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded to four equivalent Br atoms to form a mixture of distorted edge and corner-sharing ThBr4 cuboctahedra. All Th–Br bond lengths are 3.51 Å. In the second Th site, Th is bonded in a square co-planar geometry to four equivalent Br atoms. All Th–Br bond lengths are 3.47 Å. Br is bonded to twelve Th atoms to form a mixture of edge, face, and corner-sharing BrTh12 cuboctahedra.
DOI: 10.17188/1316093
title: Materials Data on SrGaSiH by Materials Project

description: SrGaSiH crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Sr2+ is bonded in a distorted trigonal planar geometry to three equivalent Si4- and three equivalent H1- atoms. All Sr–Si bond lengths are 3.28 Å. All Sr–H bond lengths are 2.47 Å. Ga3+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one H1- atom. All Ga–Si bond lengths are 2.48 Å. The Ga–H bond length is 1.78 Å. Si4- is bonded in a 6-coordinate geometry to three equivalent Sr2+ and three equivalent Ga3+ atoms. H1- is bonded to three equivalent Sr2+ and one Ga3+ atom to form distorted corner-sharing HSr3Ga trigonal pyramids.
DOI: 10.17188/1316094
title: Materials Data on Tm2AgHg by Materials Project

description: Tm2AgHg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Ag and four equivalent Hg atoms. All Tm–Ag bond lengths are 3.15 Å. All Tm–Hg bond lengths are 3.15 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Hg is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1316095
title: Materials Data on Sm3Y by Materials Project

description: Sm3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Y atoms to form SmSm8Y4 cuboctahedra that share corners with four equivalent YSm12 cuboctahedra, corners with fourteen equivalent SmSm8Y4 cuboctahedra, edges with six equivalent YSm12 cuboctahedra, edges with twelve equivalent SmSm8Y4 cuboctahedra, faces with four equivalent YSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Y4 cuboctahedra. There are four shorter (3.60 Å) and four longer (3.67 Å) Sm–Sm bond lengths. There are two shorter (3.60 Å) and two longer (3.67 Å) Sm–Y bond lengths. Y is bonded to twelve equivalent Sm atoms to form YSm12 cuboctahedra that share corners with six equivalent YSm12 cuboctahedra, corners with twelve equivalent SmSm8Y4 cuboctahedra, edges with eighteen equivalent SmSm8Y4 cuboctahedra, faces with eight equivalent YSm12 cuboctahedra, and faces with twelve equivalent SmSm8Y4 cuboctahedra.
DOI: 10.17188/1316096
title: Materials Data on Sm3Tm by Materials Project

description: TmSm3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Sm atoms to form TmSm12 cuboctahedra that share corners with twelve equivalent TmSm12 cuboctahedra, edges with twenty-four equivalent SmSm8Tm4 cuboctahedra, faces with six equivalent TmSm12 cuboctahedra, and faces with twelve equivalent SmSm8Tm4 cuboctahedra. All Tm–Sm bond lengths are 3.60 Å. Sm is bonded to four equivalent Tm and eight equivalent Sm atoms to form SmSm8Tm4 cuboctahedra that share corners with twelve equivalent SmSm8Tm4 cuboctahedra, edges with eight equivalent TmSm12 cuboctahedra, edges with sixteen equivalent SmSm8Tm4 cuboctahedra, faces with four equivalent TmSm12 cuboctahedra, and faces with fourteen equivalent SmSm8Tm4 cuboctahedra. All Sm–Sm bond lengths are 3.60 Å.
DOI: 10.17188/1316097
title: Materials Data on SnGe3 by Materials Project

description: Sn1Ge3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sn is bonded to twelve Ge atoms to form SnGe12 cuboctahedra that share corners with four equivalent SnGe12 cuboctahedra, corners with eight equivalent GeSn4Ge8 cuboctahedra, edges with eight equivalent SnGe12 cuboctahedra, edges with sixteen equivalent GeSn4Ge8 cuboctahedra, faces with four equivalent SnGe12 cuboctahedra, and faces with fourteen GeSn4Ge8 cuboctahedra. There are four shorter (3.09 Å) and eight longer (3.12 Å) Sn–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Sn and eight Ge atoms to form distorted GeSn4Ge8 cuboctahedra that share corners with twelve equivalent GeSn4Ge8 cuboctahedra, edges with eight equivalent SnGe12 cuboctahedra, edges with sixteen GeSn4Ge8 cuboctahedra, faces with four equivalent SnGe12 cuboctahedra, and faces with fourteen GeSn4Ge8 cuboctahedra. There are four shorter (3.09 Å) and four longer (3.12 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded to four equivalent Sn and eight equivalent Ge atoms to form distorted GeSn4Ge8 cuboctahedra that share corners with four equivalent GeSn4Ge8 cuboctahedra, corners with eight equivalent SnGe12 cuboctahedra, edges with twenty-four GeSn4Ge8 cuboctahedra, faces with six equivalent SnGe12 cuboctahedra, and faces with twelve GeSn4Ge8 cuboctahedra.
DOI: 10.17188/1316098
title: Materials Data on Tm2CdHg by Materials Project

description: Tm2HgCd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Cd atoms. All Tm–Hg bond lengths are 3.20 Å. All Tm–Cd bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Tm atoms. Cd is bonded in a body-centered cubic geometry to eight equivalent Tm atoms.
DOI: 10.17188/1316099
title: Materials Data on V2ReMo by Materials Project

description: V2MoRe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Mo and four equivalent Re atoms. All V–Mo bond lengths are 2.65 Å. All V–Re bond lengths are 2.65 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent V atoms. Re is bonded in a distorted body-centered cubic geometry to eight equivalent V atoms.
DOI: 10.17188/1316100
title: Materials Data on Sc6Ga16Ru7 by Materials Project

description: Sc6Ru7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to four equivalent Ru and eight Ga atoms. All Sc–Ru bond lengths are 3.13 Å. There are four shorter (2.85 Å) and four longer (2.91 Å) Sc–Ga bond lengths. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Sc and eight Ga atoms to form a mixture of distorted corner and face-sharing RuSc4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.70 Å) Ru–Ga bond lengths. In the second Ru site, Ru is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Ru–Ga bond lengths are 2.66 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 7-coordinate geometry to three equivalent Sc and four Ru atoms. In the second Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Sc and three equivalent Ru atoms.
DOI: 10.17188/1316101
title: Materials Data on TiPd by Materials Project

description: TiPd is beta-prime cadmium gold structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to eight equivalent Pd atoms. There are a spread of Ti–Pd bond distances ranging from 2.72–2.99 Å. Pd is bonded in a 12-coordinate geometry to eight equivalent Ti and four equivalent Pd atoms. There are two shorter (2.81 Å) and two longer (2.94 Å) Pd–Pd bond lengths.
DOI: 10.17188/1316102
title: Materials Data on Tl3F by Materials Project

description: (Tl)6F2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two hydrofluoric acid molecules; two thallium molecules; and two Tl sheets oriented in the (0, 0, 1) direction. In each Tl sheet, Tl is bonded in a 4-coordinate geometry to four equivalent Tl atoms. All Tl–Tl bond lengths are 3.13 Å.
DOI: 10.17188/1316103
title: Materials Data on ThMg3 by Materials Project

description: Mg3Th crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to eight equivalent Mg and four equivalent Th atoms to form distorted MgTh4Mg8 cuboctahedra that share corners with four equivalent ThMg12 cuboctahedra, corners with fourteen equivalent MgTh4Mg8 cuboctahedra, edges with six equivalent ThMg12 cuboctahedra, edges with twelve equivalent MgTh4Mg8 cuboctahedra, faces with four equivalent ThMg12 cuboctahedra, and faces with sixteen equivalent MgTh4Mg8 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.22–3.51 Å. There are two shorter (3.31 Å) and two longer (3.39 Å) Mg–Th bond lengths. Th is bonded to twelve equivalent Mg atoms to form ThMg12 cuboctahedra that share corners with six equivalent ThMg12 cuboctahedra, corners with twelve equivalent MgTh4Mg8 cuboctahedra, edges with eighteen equivalent MgTh4Mg8 cuboctahedra, faces with eight equivalent ThMg12 cuboctahedra, and faces with twelve equivalent MgTh4Mg8 cuboctahedra.
DOI: 10.17188/1316104
title: Materials Data on Te6RhCl3 by Materials Project

description: RhTe6Cl3 crystallizes in the trigonal R-3c space group. The structure is zero-dimensional and consists of six RhTe6Cl3 clusters. Rh3+ is bonded in an octahedral geometry to six equivalent Te atoms. All Rh–Te bond lengths are 2.70 Å. Te is bonded in a 2-coordinate geometry to one Rh3+ and one Cl1- atom. The Te–Cl bond length is 2.81 Å. Cl1- is bonded in an L-shaped geometry to two equivalent Te atoms.
DOI: 10.17188/1316105
title: Materials Data on Ta2CN3 by Materials Project

description: Ta2N3C crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional and consists of one methane molecule and one Ta2N3 framework. In the Ta2N3 framework, Ta+3.50+ is bonded to six equivalent N3- atoms to form a mixture of distorted edge, face, and corner-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.11 Å. N3- is bonded in a square co-planar geometry to four equivalent Ta+3.50+ atoms.
DOI: 10.17188/1316106
title: Materials Data on Sm3Al by Materials Project

description: Sm3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight equivalent Sm and four equivalent Al atoms. There are a spread of Sm–Sm bond distances ranging from 3.30–3.72 Å. There are two shorter (3.29 Å) and two longer (3.51 Å) Sm–Al bond lengths. Al is bonded to twelve equivalent Sm atoms to form a mixture of corner and face-sharing AlSm12 cuboctahedra.
DOI: 10.17188/1316107
title: Materials Data on Ta2FeMo by Materials Project

description: Ta2MoFe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta is bonded in a body-centered cubic geometry to four equivalent Mo and four equivalent Fe atoms. All Ta–Mo bond lengths are 2.73 Å. All Ta–Fe bond lengths are 2.73 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent Ta atoms. Fe is bonded in a distorted body-centered cubic geometry to eight equivalent Ta atoms.
DOI: 10.17188/1316108
title: Materials Data on Tl3Br by Materials Project

description: (Tl)2TlBr is alpha Niobium phosphide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Tl sheets oriented in the (0, 0, 1) direction and two TlBr sheets oriented in the (0, 0, 1) direction. In each Tl sheet, Tl is bonded in a square co-planar geometry to four equivalent Tl atoms. All Tl–Tl bond lengths are 3.37 Å. In each TlBr sheet, Tl is bonded in a square co-planar geometry to four equivalent Br atoms. All Tl–Br bond lengths are 3.37 Å. Br is bonded in a square co-planar geometry to four equivalent Tl atoms.
DOI: 10.17188/1316109
title: Materials Data on Tl3Cd by Materials Project

description: CdTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cd is bonded to twelve equivalent Tl atoms to form CdTl12 cuboctahedra that share corners with twelve equivalent CdTl12 cuboctahedra, edges with twenty-four equivalent TlTl8Cd4 cuboctahedra, faces with six equivalent CdTl12 cuboctahedra, and faces with twelve equivalent TlTl8Cd4 cuboctahedra. All Cd–Tl bond lengths are 3.47 Å. Tl is bonded to four equivalent Cd and eight equivalent Tl atoms to form TlTl8Cd4 cuboctahedra that share corners with twelve equivalent TlTl8Cd4 cuboctahedra, edges with eight equivalent CdTl12 cuboctahedra, edges with sixteen equivalent TlTl8Cd4 cuboctahedra, faces with four equivalent CdTl12 cuboctahedra, and faces with fourteen equivalent TlTl8Cd4 cuboctahedra. All Tl–Tl bond lengths are 3.47 Å.
DOI: 10.17188/1316110
title: Materials Data on Tb2AgIr by Materials Project

description: Tb2IrAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ag atoms. All Tb–Ir bond lengths are 3.06 Å. All Tb–Ag bond lengths are 3.06 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Tb atoms.