cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1679448
title: Materials Data on HoCu(MoO4)2 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: 10.17188/1679449
title: Materials Data on Co21O40 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: 10.17188/1679450
title: Materials Data on KLiErF5 by Materials Project

description: KLiErF5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.62–3.13 Å. Li1+ is bonded in a 4-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.88–2.63 Å. Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.19–2.33 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent K1+, two equivalent Li1+, and one Er3+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Li1+, and two equivalent Er3+ atoms. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Er3+ atoms. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one K1+, one Li1+, and two equivalent Er3+ atoms. In the fifth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+, one Li1+, and one Er3+ atom.
DOI: 10.17188/1679451
title: Materials Data on Mn3Pb3N5 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: 10.17188/1679452
title: Materials Data on LaTe2 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: 10.17188/1679453
title: Materials Data on Ge2W by Materials Project

description: WGe2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. W is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of W–Ge bond distances ranging from 2.59–2.88 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent W and four Ge atoms. There are two shorter (2.56 Å) and two longer (2.74 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 4-coordinate geometry to five equivalent W and two equivalent Ge atoms.
DOI: 10.17188/1679454
title: Materials Data on Li(BH)3 by Materials Project

description: Li(BH)3 crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of twenty-four boranediylradical molecules and eight litio molecules.
DOI: 10.17188/1679455
title: Materials Data on Zr2CuH5 by Materials Project

description: Zr2CuH5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Zr2+ sites. In the first Zr2+ site, Zr2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Zr–H bond distances ranging from 2.02–2.26 Å. In the second Zr2+ site, Zr2+ is bonded in a body-centered cubic geometry to eight H1- atoms. There are a spread of Zr–H bond distances ranging from 2.06–2.20 Å. Cu1+ is bonded in a rectangular see-saw-like geometry to four H1- atoms. There are a spread of Cu–H bond distances ranging from 1.75–1.87 Å. There are five inequivalent H1- sites. In the first H1- site, H1- is bonded to four Zr2+ atoms to form HZr4 tetrahedra that share corners with fourteen HZr4 tetrahedra, corners with three equivalent HZr3Cu2 trigonal bipyramids, edges with five HZr3Cu tetrahedra, and an edgeedge with one HZr3Cu2 trigonal bipyramid. In the second H1- site, H1- is bonded to four Zr2+ atoms to form HZr4 tetrahedra that share corners with twelve HZr4 tetrahedra, corners with six equivalent HZr3Cu2 trigonal bipyramids, and edges with six HZr3Cu tetrahedra. In the third H1- site, H1- is bonded to three equivalent Zr2+ and one Cu1+ atom to form HZr3Cu tetrahedra that share corners with eleven HZr4 tetrahedra, corners with four equivalent HZr3Cu2 trigonal bipyramids, edges with four HZr3Cu tetrahedra, and edges with two equivalent HZr3Cu2 trigonal bipyramids. In the fourth H1- site, H1- is bonded to three Zr2+ and one Cu1+ atom to form HZr3Cu tetrahedra that share corners with eleven HZr4 tetrahedra, corners with two equivalent HZr3Cu2 trigonal bipyramids, edges with four HZr3Cu tetrahedra, and edges with two equivalent HZr3Cu2 trigonal bipyramids. In the fifth H1- site, H1- is bonded to three Zr2+ and two equivalent Cu1+ atoms to form HZr3Cu2 trigonal bipyramids that share corners with fifteen HZr4 tetrahedra, corners with two equivalent HZr3Cu2 trigonal bipyramids, edges with five HZr3Cu tetrahedra, and an edgeedge with one HZr3Cu2 trigonal bipyramid.
DOI: 10.17188/1679456
title: Materials Data on Mn(SbO3)4 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: 10.17188/1679457
title: Materials Data on Li3Mn4(BO3)4 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: 10.5281/zenodo.4477917
title: Kinesin-1 activity recorded in living cells with a precipitating dye FIB-SEM data 1

description: Kinesin-1 activity recorded in living cells with a precipitating dye FIB-SEM dataset 1 - QPDTf precipitating dye with HeLa cells
DOI: 10.17188/1679458
title: Materials Data on HfSiOs by Materials Project

description: HfOsSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to six equivalent Os and five Si atoms. There are two shorter (2.92 Å) and four longer (3.04 Å) Hf–Os bond lengths. There are four shorter (2.73 Å) and one longer (2.75 Å) Hf–Si bond lengths. Os is bonded in a 12-coordinate geometry to six equivalent Hf and four Si atoms. There are two shorter (2.48 Å) and two longer (2.55 Å) Os–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Os atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Os atoms.
DOI: 10.5281/zenodo.4477916
title: Kinesin-1 activity recorded in living cells with a precipitating dye FIB-SEM data 1

description: Kinesin-1 activity recorded in living cells with a precipitating dye FIB-SEM dataset 1 - QPDTf precipitating dye with HeLa cells
DOI: 10.17188/1679461
title: Materials Data on K2Ca2MgH2(SO4)4 by Materials Project

description: K2Ca2MgH2(SO4)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 11-coordinate geometry to one H1+ and ten O2- atoms. The K–H bond length is 2.90 Å. There are a spread of K–O bond distances ranging from 2.75–3.23 Å. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.38–2.77 Å. Mg2+ is bonded to two equivalent H1+ and four O2- atoms to form MgH2O4 octahedra that share corners with four SO4 tetrahedra. Both Mg–H bond lengths are 2.20 Å. There are two shorter (1.98 Å) and two longer (2.09 Å) Mg–O bond lengths. H1+ is bonded in a water-like geometry to one K1+ and one Mg2+ atom. There are two inequivalent S+5.50+ sites. In the first S+5.50+ site, S+5.50+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one MgH2O4 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of S–O bond distances ranging from 1.48–1.53 Å. In the second S+5.50+ site, S+5.50+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one MgH2O4 octahedra. The corner-sharing octahedral tilt angles are 31°. There are a spread of S–O bond distances ranging from 1.47–1.52 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ca2+, one Mg2+, and one S+5.50+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Ca2+, and one S+5.50+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ca2+, and one S+5.50+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one Ca2+, one Mg2+, and one S+5.50+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Ca2+ and one S+5.50+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one Ca2+, and one S+5.50+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Ca2+, and one S+5.50+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+, one Ca2+, and one S+5.50+ atom.
DOI: 10.17188/1679463
title: Materials Data on NdZn3 by Materials Project

description: NdZn3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to fourteen Zn atoms. There are a spread of Nd–Zn bond distances ranging from 3.06–3.55 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to five equivalent Nd and five Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.59–2.82 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to five equivalent Nd and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–3.17 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four equivalent Nd and six Zn atoms.
DOI: 10.17188/1679464
title: Materials Data on UGa by Materials Project

description: U(Ga) crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to four U and four equivalent Ga atoms to form a mixture of edge and corner-sharing UU4Ga4 hexagonal bipyramids. There are two shorter (2.54 Å) and two longer (2.72 Å) U–U bond lengths. There are two shorter (3.00 Å) and two longer (3.08 Å) U–Ga bond lengths. In the second U site, U is bonded in a distorted q6 geometry to two equivalent U and eight Ga atoms. There are a spread of U–Ga bond distances ranging from 2.99–3.06 Å. In the third U site, U is bonded in a 9-coordinate geometry to three U and six Ga atoms. Both U–U bond lengths are 2.73 Å. There are a spread of U–Ga bond distances ranging from 3.02–3.18 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to six U and two equivalent Ga atoms. There are one shorter (2.69 Å) and one longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 8-coordinate geometry to six U and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.72 Å.
DOI: 10.17188/1679465
title: Materials Data on Rb3FeF6 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: 10.17188/1679466
title: Materials Data on RbGeCl3 by Materials Project

description: RbGeCl3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.43–3.68 Å. Ge2+ is bonded in a 6-coordinate geometry to five Cl1- atoms. There are a spread of Ge–Cl bond distances ranging from 2.40–3.22 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and one Ge2+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and two equivalent Ge2+ atoms. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Rb1+ and two equivalent Ge2+ atoms.
DOI: 10.17188/1679467
title: Materials Data on MgGa by Materials Project

description: MgGa crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one MgGa sheet oriented in the (0, 0, 1) direction. Mg is bonded in a 12-coordinate geometry to three equivalent Ga atoms. All Mg–Ga bond lengths are 2.93 Å. Ga is bonded in a 12-coordinate geometry to three equivalent Mg and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.77 Å.
DOI: 10.17188/1679468
title: Materials Data on Na2MnFeF7 by Materials Project

description: Na2MnFeF7 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to eight F1- atoms to form distorted NaF8 hexagonal bipyramids that share corners with two equivalent NaF8 hexagonal bipyramids, corners with two equivalent FeF6 octahedra, edges with two equivalent FeF6 octahedra, and edges with four equivalent MnF6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Na–F bond distances ranging from 2.29–2.90 Å. In the second Na1+ site, Na1+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.57–2.86 Å. Mn2+ is bonded to six F1- atoms to form MnF6 octahedra that share corners with two equivalent MnF6 octahedra, corners with four equivalent FeF6 octahedra, and edges with four equivalent NaF8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 41–53°. There are a spread of Mn–F bond distances ranging from 2.09–2.13 Å. Fe3+ is bonded to six F1- atoms to form FeF6 octahedra that share corners with two equivalent NaF8 hexagonal bipyramids, corners with four equivalent MnF6 octahedra, and edges with two equivalent NaF8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Fe–F bond distances ranging from 1.93–2.01 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded to three Na1+ and one Fe3+ atom to form a mixture of distorted edge and corner-sharing FNa3Fe tetrahedra. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two Na1+, one Mn2+, and one Fe3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two Na1+, one Mn2+, and one Fe3+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and two equivalent Mn2+ atoms. In the fifth F1- site, F1- is bonded to three Na1+ and one Fe3+ atom to form a mixture of distorted edge and corner-sharing FNa3Fe tetrahedra. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and two equivalent Mn2+ atoms.
DOI: 10.17188/1679469
title: Materials Data on Er3Ga8Ni3 by Materials Project

description: Er3Ni3Ga8 is beta Plutonium-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 9-coordinate geometry to four Ni and ten Ga atoms. There are two shorter (3.01 Å) and two longer (3.03 Å) Er–Ni bond lengths. There are a spread of Er–Ga bond distances ranging from 3.06–3.19 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to two equivalent Ni and twelve Ga atoms. Both Er–Ni bond lengths are 3.16 Å. There are a spread of Er–Ga bond distances ranging from 2.98–3.18 Å. In the third Er site, Er is bonded in a 12-coordinate geometry to six Ni and ten Ga atoms. There are a spread of Er–Ni bond distances ranging from 3.01–3.19 Å. There are a spread of Er–Ga bond distances ranging from 3.05–3.51 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to four Er, one Ni, and four Ga atoms. The Ni–Ni bond length is 2.45 Å. There are a spread of Ni–Ga bond distances ranging from 2.42–2.46 Å. In the second Ni site, Ni is bonded in a 5-coordinate geometry to four Er and five Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.33–2.45 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to four Er, one Ni, and four Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.43–2.49 Å. There are eight inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Er, one Ni, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.89 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to four Er, two Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.82–2.92 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to four Er, two equivalent Ni, and four Ga atoms. There are one shorter (2.67 Å) and one longer (2.91 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Ni, and five Ga atoms. There are two shorter (2.65 Å) and one longer (2.87 Å) Ga–Ga bond lengths. In the fifth Ga site, Ga is bonded in a 3-coordinate geometry to four Er, three Ni, and three Ga atoms. The Ga–Ga bond length is 2.93 Å. In the sixth Ga site, Ga is bonded in a 3-coordinate geometry to four Er, three Ni, and three Ga atoms. The Ga–Ga bond length is 3.00 Å. In the seventh Ga site, Ga is bonded to four Er and eight Ga atoms to form face-sharing GaEr4Ga8 cuboctahedra. In the eighth Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Ni, and four Ga atoms.
DOI: 10.17188/1679470
title: Materials Data on TcB by Materials Project

description: TcB is alpha carbon monoxide-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is zero-dimensional and consists of two TcB clusters. Tc3- is bonded in a single-bond geometry to one B3+ atom. The Tc–B bond length is 1.77 Å. B3+ is bonded in a single-bond geometry to one Tc3- atom.
DOI: 10.17188/1679471
title: Materials Data on PrEuCuS3 by Materials Project

description: EuPrCuS3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded to seven S2- atoms to form distorted EuS7 pentagonal bipyramids that share corners with three equivalent PrS7 pentagonal bipyramids, corners with four equivalent EuS7 pentagonal bipyramids, edges with two equivalent EuS7 pentagonal bipyramids, edges with five equivalent PrS7 pentagonal bipyramids, edges with four equivalent CuS4 tetrahedra, and faces with two equivalent EuS7 pentagonal bipyramids. There are a spread of Eu–S bond distances ranging from 2.94–3.10 Å. Pr3+ is bonded to seven S2- atoms to form distorted PrS7 pentagonal bipyramids that share corners with three equivalent EuS7 pentagonal bipyramids, corners with four equivalent CuS4 tetrahedra, edges with five equivalent EuS7 pentagonal bipyramids, edges with six equivalent PrS7 pentagonal bipyramids, and edges with three equivalent CuS4 tetrahedra. There are a spread of Pr–S bond distances ranging from 2.86–3.05 Å. Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four equivalent PrS7 pentagonal bipyramids, corners with two equivalent CuS4 tetrahedra, edges with three equivalent PrS7 pentagonal bipyramids, and edges with four equivalent EuS7 pentagonal bipyramids. There are a spread of Cu–S bond distances ranging from 2.34–2.37 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Eu2+, one Pr3+, and one Cu1+ atom to form a mixture of distorted corner and edge-sharing SPrEu4Cu octahedra. The corner-sharing octahedral tilt angles are 21°. In the second S2- site, S2- is bonded in a 6-coordinate geometry to two equivalent Eu2+, three equivalent Pr3+, and one Cu1+ atom. In the third S2- site, S2- is bonded in a 6-coordinate geometry to one Eu2+, three equivalent Pr3+, and two equivalent Cu1+ atoms.
DOI: 10.17188/1679472
title: Materials Data on Ce2Si3Pd by Materials Project

description: Ce2PdSi3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to eight equivalent Si4- atoms to form CeSi8 hexagonal bipyramids that share corners with eight equivalent CeSi8 hexagonal bipyramids, edges with four equivalent CeSi12 cuboctahedra, edges with four equivalent CeSi8 hexagonal bipyramids, faces with two equivalent CeSi12 cuboctahedra, and faces with two equivalent CeSi8 hexagonal bipyramids. There are four shorter (3.18 Å) and four longer (3.19 Å) Ce–Si bond lengths. In the second Ce4+ site, Ce4+ is bonded to twelve equivalent Si4- atoms to form CeSi12 cuboctahedra that share edges with twelve equivalent CeSi8 hexagonal bipyramids, faces with two equivalent CeSi12 cuboctahedra, and faces with six equivalent CeSi8 hexagonal bipyramids. There are six shorter (3.14 Å) and six longer (3.16 Å) Ce–Si bond lengths. Pd4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Pd–Si bond lengths are 2.41 Å. Si4- is bonded in a 1-coordinate geometry to six Ce4+, one Pd4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.35 Å.
DOI: 10.17188/1679473
title: Materials Data on Li3Au by Materials Project

description: Li3Au is alpha bismuth trifluoride structured and crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to four equivalent Au atoms. All Li–Au bond lengths are 2.78 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Au atoms. There are two shorter (2.86 Å) and two longer (2.87 Å) Li–Au bond lengths. Au is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing AuLi12 cuboctahedra.
DOI: 10.17188/1679474
title: Materials Data on Ta3Pt by Materials Project

description: Ta3Pt is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to eight equivalent Ta and four equivalent Pt atoms to form distorted TaTa8Pt4 cuboctahedra that share corners with twelve equivalent TaTa8Pt4 cuboctahedra, edges with eight equivalent PtTa12 cuboctahedra, edges with sixteen equivalent TaTa8Pt4 cuboctahedra, faces with four equivalent PtTa12 cuboctahedra, and faces with fourteen equivalent TaTa8Pt4 cuboctahedra. All Ta–Ta bond lengths are 2.92 Å. All Ta–Pt bond lengths are 2.92 Å. Pt is bonded to twelve equivalent Ta atoms to form PtTa12 cuboctahedra that share corners with twelve equivalent PtTa12 cuboctahedra, edges with twenty-four equivalent TaTa8Pt4 cuboctahedra, faces with six equivalent PtTa12 cuboctahedra, and faces with twelve equivalent TaTa8Pt4 cuboctahedra.