cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1708613
title: Materials Data on Er(PO2)3 by Materials Project

description: Er(PO2)3 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Er(PO2)3 sheets oriented in the (1, 0, 0) direction. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.23 Å) and two longer (2.27 Å) Er–O bond lengths. In the second Er3+ site, Er3+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.24 Å) and two longer (2.25 Å) Er–O bond lengths. There are three inequivalent P3+ sites. In the first P3+ site, P3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both P–O bond lengths are 1.52 Å. In the second P3+ site, P3+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both P–O bond lengths are 1.53 Å. In the third P3+ site, P3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.52 Å) and one longer (1.53 Å) P–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Er3+ and one P3+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one P3+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one P3+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Er3+ and one P3+ atom.
DOI: 10.17188/1708614
title: Materials Data on Er2Zn17 by Materials Project

description: Er2Zn17 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 12-coordinate geometry to eighteen Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.11–3.43 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to twenty Zn atoms. There are a spread of Er–Zn bond distances ranging from 3.02–3.39 Å. There are eight inequivalent Zn sites. In the first Zn site, Zn is bonded in a 1-coordinate geometry to one Er and thirteen Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.67–3.03 Å. In the second Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form ZnEr2Zn10 cuboctahedra that share corners with fourteen ZnEr2Zn10 cuboctahedra, edges with six ZnEr3Zn9 cuboctahedra, and faces with ten ZnEr2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.59–2.64 Å. In the third Zn site, Zn is bonded to two equivalent Er and ten Zn atoms to form ZnEr2Zn10 cuboctahedra that share corners with fourteen ZnEr2Zn10 cuboctahedra, edges with six ZnEr3Zn9 cuboctahedra, and faces with ten ZnEr2Zn10 cuboctahedra. There are four shorter (2.59 Å) and four longer (2.63 Å) Zn–Zn bond lengths. In the fourth Zn site, Zn is bonded in a 12-coordinate geometry to two Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.66–2.77 Å. In the fifth Zn site, Zn is bonded in a 12-coordinate geometry to two Er and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.67–2.77 Å. In the sixth Zn site, Zn is bonded in a 12-coordinate geometry to two Er and ten Zn atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded to three Er and nine Zn atoms to form a mixture of distorted edge, corner, and face-sharing ZnEr3Zn9 cuboctahedra. There are one shorter (2.52 Å) and one longer (2.53 Å) Zn–Zn bond lengths. In the eighth Zn site, Zn is bonded to three Er and nine Zn atoms to form a mixture of distorted edge, corner, and face-sharing ZnEr3Zn9 cuboctahedra.
DOI: 10.17188/1708615
title: Materials Data on SrLiLa3MnO8 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: 10.17188/1708616
title: Materials Data on Y3Os by Materials Project

description: Y3Os is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Os atoms. There are a spread of Y–Os bond distances ranging from 2.88–3.18 Å. In the second Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Os atoms. There are one shorter (2.77 Å) and one longer (2.84 Å) Y–Os bond lengths. Os is bonded in a 8-coordinate geometry to eight Y atoms.
DOI: 10.17188/1708617
title: Materials Data on MnVO4 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: 10.17188/1708618
title: Materials Data on I3O8 by Materials Project

description: O8I3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are eight inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.83 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are one shorter (1.85 Å) and one longer (2.44 Å) O–I bond lengths. In the third O site, O is bonded in a distorted single-bond geometry to two I atoms. There are one shorter (1.88 Å) and one longer (2.57 Å) O–I bond lengths. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two I atoms. There are one shorter (1.85 Å) and one longer (2.36 Å) O–I bond lengths. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.79 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to two I atoms. There are one shorter (1.81 Å) and one longer (2.55 Å) O–I bond lengths. In the seventh O site, O is bonded in a distorted single-bond geometry to two I atoms. There are one shorter (1.84 Å) and one longer (2.62 Å) O–I bond lengths. In the eighth O site, O is bonded in a bent 120 degrees geometry to two I atoms. There is one shorter (1.98 Å) and one longer (2.01 Å) O–I bond length. There are three inequivalent I sites. In the first I site, I is bonded in a 5-coordinate geometry to five O atoms. In the second I site, I is bonded in a 4-coordinate geometry to four O atoms. In the third I site, I is bonded in a 5-coordinate geometry to five O atoms.
DOI: 10.17188/1708619
title: Materials Data on Li5MnO4 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: 10.18112/openneuro.ds003498.v1.0.0
title: iEEG Interictal Asleep HFO Dataset
DOI: 10.17188/1708620
title: Materials Data on CaLaTaFeO6 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: 10.17188/1708621
title: Materials Data on Sr2SmTaO6 by Materials Project

description: Sr2SmTaO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.53–3.02 Å. Sm3+ is bonded to six O2- atoms to form SmO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 27–30°. There are two shorter (2.32 Å) and four longer (2.33 Å) Sm–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent SmO6 octahedra. The corner-sharing octahedra tilt angles range from 27–30°. There are a spread of Ta–O bond distances ranging from 2.01–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one Sm3+, and one Ta5+ atom to form distorted corner-sharing OSr2SmTa tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Sm3+, and one Ta5+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Sm3+, and one Ta5+ atom.
DOI: 10.17188/1708622
title: Materials Data on MnF2 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: 10.17188/1708623
title: Materials Data on PrSiNi by Materials Project

description: PrNiSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Pr3+ is bonded to six Si4- atoms to form a mixture of distorted face, edge, and corner-sharing PrSi6 pentagonal pyramids. There are two shorter (3.15 Å) and four longer (3.16 Å) Pr–Si bond lengths. Ni1+ is bonded in a trigonal planar geometry to three Si4- atoms. All Ni–Si bond lengths are 2.37 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. There are two shorter (3.15 Å) and four longer (3.16 Å) Si–Pr bond lengths. All Si–Ni bond lengths are 2.37 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms. In the third Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Pr3+ and three equivalent Ni1+ atoms.
DOI: 10.17188/1708624
title: Materials Data on Li2CaAl by Materials Project

description: Li2CaAl is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Al atoms. All Li–Ca bond lengths are 3.02 Å. All Li–Al bond lengths are 3.02 Å. Ca is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Al atoms. All Ca–Al bond lengths are 3.49 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Ca atoms.
DOI: 10.17188/1708625
title: Materials Data on Fe6O5F7 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: 10.17188/1708626
title: Materials Data on InHg6Sb4Br7 by Materials Project

description: Hg6InSb4Br7 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Hg2+ is bonded in a 5-coordinate geometry to two Sb+1.50- and three equivalent Br1- atoms. There are one shorter (2.73 Å) and one longer (2.74 Å) Hg–Sb bond lengths. There are a spread of Hg–Br bond distances ranging from 3.42–3.61 Å. In1+ is bonded in an octahedral geometry to six equivalent Br1- atoms. All In–Br bond lengths are 2.74 Å. There are two inequivalent Sb+1.50- sites. In the first Sb+1.50- site, Sb+1.50- is bonded to three equivalent Hg2+ and one Sb+1.50- atom to form corner-sharing SbHg3Sb tetrahedra. The Sb–Sb bond length is 2.98 Å. In the second Sb+1.50- site, Sb+1.50- is bonded to three equivalent Hg2+, one Sb+1.50-, and one Br1- atom to form distorted SbHg3SbBr trigonal bipyramids that share corners with three equivalent SbHg3Sb tetrahedra and a cornercorner with one SbHg3SbBr trigonal bipyramid. The Sb–Br bond length is 3.09 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a linear geometry to two equivalent Sb+1.50- atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Hg2+ and one In1+ atom.
DOI: 10.17188/1708627
title: Materials Data on ScNb(PbO3)2 by Materials Project

description: ScNb(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.10 Å. Nb5+ is bonded to six equivalent O2- atoms to form NbO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–O bond lengths are 2.01 Å. 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, faces with four equivalent ScO6 octahedra, and faces with four equivalent NbO6 octahedra. All Pb–O bond lengths are 2.91 Å. O2- is bonded in a linear geometry to one Sc3+, one Nb5+, and four equivalent Pb2+ atoms.
DOI: 10.17188/1708628
title: Materials Data on Ca2MgPt2 by Materials Project

description: Ca2MgPt2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are two shorter (3.08 Å) and four longer (3.11 Å) Ca–Pt bond lengths. Mg is bonded in a 4-coordinate geometry to four equivalent Pt atoms. All Mg–Pt bond lengths are 2.67 Å. Pt is bonded in a 2-coordinate geometry to six equivalent Ca and two equivalent Mg atoms.
DOI: 10.17188/1708629
title: Materials Data on Ce4SnO10 by Materials Project

description: Ce4SnO10 is Fluorite-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.41 Å. In the second Ce4+ site, Ce4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Ce–O bond distances ranging from 2.35–2.42 Å. Sn4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.16 Å) and six longer (2.30 Å) Sn–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Ce4+ and one Sn4+ atom to form OCe3Sn tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCeSn3 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the third O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra. In the fourth O2- site, O2- is bonded to one Ce4+ and three equivalent Sn4+ atoms to form OCeSn3 tetrahedra that share corners with sixteen OCe4 tetrahedra and edges with six OCeSn3 tetrahedra. In the fifth O2- site, O2- is bonded to four Ce4+ atoms to form a mixture of corner and edge-sharing OCe4 tetrahedra.
DOI: 10.17188/1708630
title: Materials Data on Li(CoO2)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: 10.17188/1708631
title: Materials Data on VPO5 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: 10.17188/1708632
title: Materials Data on GaGeO3 by Materials Project

description: GaGeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ga2+ is bonded to twelve equivalent O2- atoms to form GaO12 cuboctahedra that share corners with twelve equivalent GaO12 cuboctahedra, faces with six equivalent GaO12 cuboctahedra, and faces with eight equivalent GeO6 octahedra. All Ga–O bond lengths are 2.65 Å. Ge4+ is bonded to six equivalent O2- atoms to form GeO6 octahedra that share corners with six equivalent GeO6 octahedra and faces with eight equivalent GaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–O bond lengths are 1.88 Å. O2- is bonded in a linear geometry to four equivalent Ga2+ and two equivalent Ge4+ atoms.
DOI: 10.17188/1708633
title: Materials Data on Lu3Mg by Materials Project

description: MgLu3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Lu atoms. All Mg–Mg bond lengths are 3.32 Å. All Mg–Lu bond lengths are 3.34 Å. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a distorted body-centered cubic geometry to two equivalent Mg and six Lu atoms. There are four shorter (3.32 Å) and two longer (3.35 Å) Lu–Lu bond lengths. In the second Lu site, Lu is bonded in a distorted body-centered cubic geometry to eight Lu atoms. All Lu–Lu bond lengths are 3.32 Å.
DOI: 10.17188/1708634
title: Materials Data on Mg(ScS2)2 by Materials Project

description: Mg(ScS2)2 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form distorted MgS4 tetrahedra that share corners with six ScS6 octahedra and edges with three ScS6 octahedra. The corner-sharing octahedra tilt angles range from 60–70°. There are a spread of Mg–S bond distances ranging from 2.38–2.47 Å. There are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six S2- atoms to form ScS6 octahedra that share corners with four equivalent ScS6 octahedra, corners with two equivalent MgS4 tetrahedra, edges with four ScS6 octahedra, and edges with two equivalent MgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Sc–S bond distances ranging from 2.53–2.63 Å. In the second Sc3+ site, Sc3+ is bonded to six S2- atoms to form ScS6 octahedra that share corners with eight ScS6 octahedra, corners with four equivalent MgS4 tetrahedra, edges with two equivalent ScS6 octahedra, and an edgeedge with one MgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–52°. There are a spread of Sc–S bond distances ranging from 2.57–2.68 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Sc3+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Sc3+ atoms. In the third S2- site, S2- is bonded to one Mg2+ and three Sc3+ atoms to form distorted corner-sharing SMgSc3 tetrahedra.
DOI: 10.17188/1708635
title: Materials Data on KBiSe2 by Materials Project

description: KBiSe2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to six Se2- atoms to form KSe6 octahedra that share corners with six equivalent KSe6 octahedra, edges with four equivalent KSe6 octahedra, and edges with eight equivalent BiSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.03 Å) and four longer (3.13 Å) K–Se bond lengths. Bi3+ is bonded to six Se2- atoms to form BiSe6 octahedra that share corners with six equivalent BiSe6 octahedra, edges with four equivalent BiSe6 octahedra, and edges with eight equivalent KSe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.03 Å) and four longer (3.13 Å) Bi–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent K1+ and four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing SeK2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Se2- site, Se2- is bonded to four equivalent K1+ and two equivalent Bi3+ atoms to form SeK4Bi2 octahedra that share corners with six equivalent SeK4Bi2 octahedra and edges with twelve SeK2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1708636
title: Materials Data on Ca3Ta4(O6F)2 by Materials Project

description: Ca3Ta4(O6F)2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded to six O2- and two equivalent F1- atoms to form distorted CaO6F2 hexagonal bipyramids that share edges with four equivalent CaO6F2 hexagonal bipyramids and edges with six TaO6 octahedra. There are two shorter (2.62 Å) and four longer (2.66 Å) Ca–O bond lengths. Both Ca–F bond lengths are 2.23 Å. There are two inequivalent Ta5+ sites. In the first Ta5+ site, Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TaO6 octahedra and edges with six equivalent CaO6F2 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 44°. All Ta–O bond lengths are 1.99 Å. In the second Ta5+ site, Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six TaO6 octahedra and edges with four equivalent CaO6F2 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 40–44°. There is four shorter (1.99 Å) and two longer (2.00 Å) Ta–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two Ta5+ atoms. F1- is bonded in a trigonal non-coplanar geometry to three equivalent Ca2+ atoms.
DOI: 10.17188/1708637
title: Materials Data on CdIClO3 by Materials Project

description: CdO3ICl crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two CdO3ICl sheets oriented in the (0, 1, 0) direction. Cd2+ is bonded to four O2- and two equivalent Cl1- atoms to form edge-sharing CdCl2O4 octahedra. There are two shorter (2.36 Å) and two longer (2.39 Å) Cd–O bond lengths. Both Cd–Cl bond lengths are 2.59 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Cd2+ and one I5+ atom. The O–I bond length is 1.86 Å. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Cd2+ and one I5+ atom. The O–I bond length is 1.84 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms. Cl1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms.
DOI: 10.17188/1708638
title: Materials Data on VRe2W by Materials Project

description: VWRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two VWRe2 ribbons oriented in the (1, 0, 0) direction. V is bonded in a linear geometry to two equivalent Re atoms. Both V–Re bond lengths are 2.38 Å. W is bonded in a linear geometry to two equivalent Re atoms. Both W–Re bond lengths are 2.34 Å. Re is bonded in a linear geometry to one V and one W atom.