cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1695925
title: Materials Data on Er(MnSn)6 by Materials Project

description: ErMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded to eight Sn atoms to form distorted edge-sharing ErSn8 hexagonal bipyramids. There are two shorter (3.00 Å) and six longer (3.15 Å) Er–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Er, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.00 Å.
DOI: 10.17188/1695926
title: Materials Data on Li2Mn3SbO8 by Materials Project

description: Li2Mn3SbO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent SbO6 octahedra and corners with nine equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 57–62°. There are three shorter (1.99 Å) and one longer (2.24 Å) Li–O bond lengths. Mn+3.67+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent SbO6 octahedra, and edges with four equivalent MnO6 octahedra. There are two shorter (1.97 Å) and four longer (2.12 Å) Mn–O bond lengths. Sb3+ is bonded to six equivalent O2- atoms to form SbO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent MnO6 octahedra. All Sb–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+ and three equivalent Mn+3.67+ atoms to form corner-sharing OLiMn3 tetrahedra. In the second O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Li1+, two equivalent Mn+3.67+, and one Sb3+ atom.
DOI: 10.17188/1695927
title: Materials Data on Gd2Fe14B by Materials Project

description: Gd2Fe14B crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 6-coordinate geometry to sixteen Fe atoms. There are a spread of Gd–Fe bond distances ranging from 3.01–3.22 Å. In the second Gd site, Gd is bonded in a 1-coordinate geometry to sixteen Fe and one B atom. There are a spread of Gd–Fe bond distances ranging from 3.05–3.36 Å. The Gd–B bond length is 2.86 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to two Gd and ten Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeGd2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.37–2.63 Å. In the second Fe site, Fe is bonded to four Gd and eight Fe atoms to form a mixture of face and corner-sharing FeGd4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.55 Å. In the third Fe site, Fe is bonded in a distorted L-shaped geometry to two equivalent Gd, four Fe, and two equivalent B atoms. There are two shorter (2.50 Å) and two longer (2.76 Å) Fe–Fe bond lengths. Both Fe–B bond lengths are 2.07 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to two Gd and twelve Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.64–2.76 Å. In the fifth Fe site, Fe is bonded in a distorted single-bond geometry to two Gd, seven Fe, and one B atom. The Fe–Fe bond length is 2.59 Å. The Fe–B bond length is 2.06 Å. In the sixth Fe site, Fe is bonded to three Gd and nine Fe atoms to form distorted FeGd3Fe9 cuboctahedra that share corners with fourteen FeGd2Fe10 cuboctahedra, edges with three FeGd3Fe9 cuboctahedra, and faces with twelve FeGd2Fe10 cuboctahedra. The Fe–Fe bond length is 2.40 Å. B is bonded in a 6-coordinate geometry to one Gd and six Fe atoms.
DOI: 10.17188/1695928
title: Materials Data on Gd2NiIr by Materials Project

description: Gd2IrNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ni atoms. All Gd–Ir bond lengths are 2.98 Å. All Gd–Ni bond lengths are 2.98 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Gd atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Gd atoms.
DOI: 10.17188/1695929
title: Materials Data on HfGaAu2 by Materials Project

description: HfAu2Ga crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two HfAu2Ga ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Au atoms. Both Hf–Au bond lengths are 2.64 Å. Au is bonded in a linear geometry to one Hf and one Ga atom. The Au–Ga bond length is 2.56 Å. Ga is bonded in a linear geometry to two equivalent Au atoms.
DOI: 10.17188/1695930
title: Materials Data on Er2CO7 by Materials Project

description: Er2CO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.24–2.77 Å. In the second Er site, Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.24–2.52 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.31 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Er atoms. In the second O site, O is bonded in a distorted water-like geometry to one Er and one C atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Er atoms. In the fourth O site, O is bonded in a trigonal non-coplanar geometry to three Er atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Er and one C atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two Er and one C atom. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to three Er atoms.
DOI: 10.17188/1695931
title: Materials Data on ErTmTl2 by Materials Project

description: TmErTl2 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 eight equivalent Tl atoms. All Tm–Tl bond lengths are 3.26 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Er–Tl bond lengths are 3.26 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Er atoms.
DOI: 10.17188/1695932
title: Materials Data on TiMnV by Materials Project

description: TiVMn crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. Ti is bonded in a 8-coordinate geometry to four equivalent Ti, two equivalent V, and two equivalent Mn atoms. All Ti–Ti bond lengths are 2.68 Å. Both Ti–V bond lengths are 2.76 Å. Both Ti–Mn bond lengths are 2.50 Å. V is bonded in a 2-coordinate geometry to two equivalent Ti and two equivalent Mn atoms. Both V–Mn bond lengths are 2.33 Å. Mn is bonded in a 4-coordinate geometry to two equivalent Ti and two equivalent V atoms.
DOI: 10.17188/1695933
title: Materials Data on KMg2(AsO6)2 by Materials Project

description: KMg2(AsO5)2O2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four oxygen molecules and one KMg2(AsO5)2 framework. In the KMg2(AsO5)2 framework, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.63–3.15 Å. Mg is bonded to five O atoms to form distorted MgO5 square pyramids that share corners with four equivalent AsO4 tetrahedra and an edgeedge with one MgO5 square pyramid. There are a spread of Mg–O bond distances ranging from 1.99–2.63 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four equivalent MgO5 square pyramids. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Mg and one As atom. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Mg, and one O atom. The O–O bond length is 1.25 Å. In the third O site, O is bonded in a single-bond geometry to one As atom. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K, one Mg, and one As atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to one K, one Mg, and one As atom.
DOI: 10.17188/1695934
title: Materials Data on Dy2ZnS4 by Materials Project

description: Dy2ZnS4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six S2- atoms to form DyS6 octahedra that share corners with four equivalent DyS6 octahedra, corners with two equivalent ZnS4 tetrahedra, edges with four DyS6 octahedra, and edges with two equivalent ZnS4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are four shorter (2.73 Å) and two longer (2.76 Å) Dy–S bond lengths. In the second Dy3+ site, Dy3+ is bonded to six S2- atoms to form DyS6 octahedra that share corners with eight DyS6 octahedra, corners with four equivalent ZnS4 tetrahedra, edges with two equivalent DyS6 octahedra, and an edgeedge with one ZnS4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Dy–S bond distances ranging from 2.73–2.78 Å. Zn2+ is bonded to four S2- atoms to form ZnS4 tetrahedra that share corners with six DyS6 octahedra and edges with three DyS6 octahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are a spread of Zn–S bond distances ranging from 2.31–2.40 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three Dy3+ and one Zn2+ atom to form distorted corner-sharing SDy3Zn trigonal pyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Dy3+ and one Zn2+ atom. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to three Dy3+ and one Zn2+ atom.
DOI: 10.17188/1695935
title: Materials Data on Mn2Pb2O5 by Materials Project

description: Mn2Pb2O5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to five O2- atoms to form distorted MnO5 square pyramids that share corners with two equivalent MnO6 octahedra, corners with two equivalent MnO5 square pyramids, and edges with two equivalent MnO5 square pyramids. The corner-sharing octahedra tilt angles range from 8–9°. There are a spread of Mn–O bond distances ranging from 1.93–2.11 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra and corners with two equivalent MnO5 square pyramids. The corner-sharing octahedra tilt angles range from 9–12°. There are a spread of Mn–O bond distances ranging from 1.97–2.14 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–3.15 Å. In the second Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.51–3.12 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mn3+ and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mn3+ and three Pb2+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mn3+ and four equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn3+ and four Pb2+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two Mn3+ and four Pb2+ atoms.
DOI: 10.17188/1695936
title: Materials Data on CsSnPS4 by Materials Project

description: CsSnPS4 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven S2- atoms. There are a spread of Cs–S bond distances ranging from 3.48–4.23 Å. In the second Cs1+ site, Cs1+ is bonded in a 11-coordinate geometry to eleven S2- atoms. There are a spread of Cs–S bond distances ranging from 3.47–4.24 Å. There are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sn–S bond distances ranging from 2.76–3.21 Å. In the second Sn2+ site, Sn2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Sn–S bond distances ranging from 2.76–3.22 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of P–S bond distances ranging from 2.04–2.07 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are two shorter (2.05 Å) and two longer (2.06 Å) P–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to one Cs1+, one Sn2+, and one P5+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to three Cs1+, two equivalent Sn2+, and one P5+ atom. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to one Cs1+, one Sn2+, and one P5+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to four Cs1+, one Sn2+, and one P5+ atom. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to four Cs1+, one Sn2+, and one P5+ atom. In the sixth S2- site, S2- is bonded in a distorted single-bond geometry to three Cs1+, two equivalent Sn2+, and one P5+ atom.
DOI: 10.17188/1695937
title: Materials Data on Sr2LiMg by Materials Project

description: LiSr2Mg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiSr2Mg ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Sr atoms. Both Li–Sr bond lengths are 3.64 Å. Sr is bonded in a linear geometry to one Li and one Mg atom. The Sr–Mg bond length is 3.74 Å. Mg is bonded in a linear geometry to two equivalent Sr atoms.
DOI: 10.17188/1695939
title: Materials Data on LiCoPO4 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: 10.17188/1695940
title: Materials Data on Dy2CO5 by Materials Project

description: Dy2O2CO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.29–2.61 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.28 Å) and two longer (1.30 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Dy3+ and one C4+ atom. In the second O2- site, O2- is bonded to four equivalent Dy3+ atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Dy3+ and one C4+ atom.
DOI: 10.17188/1695941
title: Materials Data on Rb5CeCo2(NO2)12 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: 10.17188/1695942
title: Materials Data on Cs2NaNiF6 by Materials Project

description: Cs2NaNiF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent NiF6 octahedra. All Cs–F bond lengths are 3.12 Å. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent NiF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.46 Å. Ni3+ is bonded to six equivalent F1- atoms to form NiF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–F bond lengths are 1.93 Å. F1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Na1+, and one Ni3+ atom.
DOI: 10.17188/1695943
title: Materials Data on UTeSe by Materials Project

description: USeTe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded in a 8-coordinate geometry to four equivalent Te2- and four equivalent Se2- atoms. There are a spread of U–Te bond distances ranging from 3.11–3.43 Å. There are two shorter (2.84 Å) and two longer (2.93 Å) U–Se bond lengths. Te2- is bonded in a 3-coordinate geometry to four equivalent U4+ and five equivalent Se2- atoms. There are a spread of Te–Se bond distances ranging from 3.44–3.77 Å. Se2- is bonded in a distorted square co-planar geometry to four equivalent U4+ and five equivalent Te2- atoms.
DOI: 10.17188/1695944
title: Materials Data on CeYCu4 by Materials Project

description: CeYCu4 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Ce–Cu bond distances ranging from 2.97–3.12 Å. Y is bonded in a 12-coordinate geometry to twelve Cu atoms. There are a spread of Y–Cu bond distances ranging from 2.96–3.13 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 10-coordinate geometry to three equivalent Ce, three equivalent Y, and four Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.49–2.76 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to three equivalent Ce, three equivalent Y, and four Cu atoms. The Cu–Cu bond length is 2.76 Å.
DOI: 10.17188/1695945
title: Materials Data on Tb3Mg by Materials Project

description: MgTb3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Tb atoms to form MgTb12 cuboctahedra that share corners with six equivalent MgTb12 cuboctahedra, corners with twelve equivalent TbTb8Mg4 cuboctahedra, edges with eighteen equivalent TbTb8Mg4 cuboctahedra, faces with eight equivalent MgTb12 cuboctahedra, and faces with twelve equivalent TbTb8Mg4 cuboctahedra. There are six shorter (3.41 Å) and six longer (3.52 Å) Mg–Tb bond lengths. Tb is bonded to four equivalent Mg and eight equivalent Tb atoms to form distorted TbTb8Mg4 cuboctahedra that share corners with four equivalent MgTb12 cuboctahedra, corners with fourteen equivalent TbTb8Mg4 cuboctahedra, edges with six equivalent MgTb12 cuboctahedra, edges with twelve equivalent TbTb8Mg4 cuboctahedra, faces with four equivalent MgTb12 cuboctahedra, and faces with sixteen equivalent TbTb8Mg4 cuboctahedra. There are a spread of Tb–Tb bond distances ranging from 3.44–3.61 Å.
DOI: 10.17188/1695946
title: Materials Data on Cs2LiSbCl6 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: 10.17188/1695949
title: Materials Data on Mg3Ti by Materials Project

description: Mg3Ti is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to eight equivalent Mg and six equivalent Ti atoms. All Mg–Mg bond lengths are 2.99 Å. All Mg–Ti bond lengths are 3.45 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ti atoms. All Mg–Ti bond lengths are 2.99 Å. Ti is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.
DOI: 10.17188/1695950
title: Materials Data on Li3CoPCO7 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: 10.17188/1695951
title: Materials Data on Na2SO9 by Materials Project

description: Na2SO9 crystallizes in the tetragonal P4_322 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.37–2.47 Å. In the second Na site, Na is bonded in a 2-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.34–2.80 Å. S is bonded in a distorted see-saw-like geometry to four O atoms. There is two shorter (1.49 Å) and two longer (2.02 Å) S–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one S atom. In the second O site, O is bonded in a distorted water-like geometry to one Na and one O atom. The O–O bond length is 1.28 Å. In the third O site, O is bonded in a bent 120 degrees geometry to two equivalent S atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to two Na and one O atom. In the fifth O site, O is bonded in a distorted L-shaped geometry to one Na and one O atom. The O–O bond length is 1.24 Å.
DOI: 10.17188/1695952
title: Materials Data on Li2Co2Si2O7 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: 10.17188/1695953
title: Materials Data on Sm7V(Se2O)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