cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1317187
title: Materials Data on CeY3 by Materials Project

description: CeY3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Y atoms to form CeY12 cuboctahedra that share corners with six equivalent CeY12 cuboctahedra, corners with twelve equivalent YCe4Y8 cuboctahedra, edges with eighteen equivalent YCe4Y8 cuboctahedra, faces with eight equivalent CeY12 cuboctahedra, and faces with twelve equivalent YCe4Y8 cuboctahedra. There are six shorter (3.53 Å) and six longer (3.60 Å) Ce–Y bond lengths. Y is bonded to four equivalent Ce and eight equivalent Y atoms to form YCe4Y8 cuboctahedra that share corners with four equivalent CeY12 cuboctahedra, corners with fourteen equivalent YCe4Y8 cuboctahedra, edges with six equivalent CeY12 cuboctahedra, edges with twelve equivalent YCe4Y8 cuboctahedra, faces with four equivalent CeY12 cuboctahedra, and faces with sixteen equivalent YCe4Y8 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.53–3.61 Å.
DOI: 10.17188/1317188
title: Materials Data on Er2Co3Ge5 by Materials Project

description: Er2Co3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to ten Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.88–3.21 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.39–2.68 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.30–2.41 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er, three Co, and two Ge atoms. There are one shorter (2.64 Å) and one longer (2.65 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four equivalent Er, three Co, and four Ge atoms. Both Ge–Ge bond lengths are 2.85 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Er and four equivalent Co atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Er, three Co, and four Ge atoms.
DOI: 10.17188/1317189
title: Materials Data on Ce2HfSe5 by Materials Project

description: Ce2HfSe5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce3+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.00–3.15 Å. Hf4+ is bonded to seven Se2- atoms to form distorted edge-sharing HfSe7 pentagonal bipyramids. There are a spread of Hf–Se bond distances ranging from 2.68–2.85 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four equivalent Ce3+ and one Hf4+ atom to form a mixture of distorted face, edge, and corner-sharing SeCe4Hf trigonal bipyramids. In the second Se2- site, Se2- is bonded to four equivalent Ce3+ and one Hf4+ atom to form a mixture of distorted face, edge, and corner-sharing SeCe4Hf trigonal bipyramids. In the third Se2- site, Se2- is bonded to four equivalent Ce3+ and one Hf4+ atom to form a mixture of distorted edge and corner-sharing SeCe4Hf trigonal bipyramids. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Ce3+ and two equivalent Hf4+ atoms.
DOI: 10.17188/1317190
title: Materials Data on Ce2SnSe4 by Materials Project

description: Ce2SnSe4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven Se2- atoms. There are a spread of Ce–Se bond distances ranging from 2.91–3.35 Å. In the second Ce3+ site, Ce3+ is bonded to six Se2- atoms to form edge-sharing CeSe6 octahedra. There are a spread of Ce–Se bond distances ranging from 2.88–3.04 Å. Sn2+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Sn–Se bond distances ranging from 2.79–3.29 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ce3+ atoms. In the second Se2- site, Se2- is bonded to three Ce3+ and one Sn2+ atom to form distorted SeCe3Sn trigonal pyramids that share corners with three equivalent SeCe4Sn2 octahedra, corners with two equivalent SeCe3Sn trigonal pyramids, and edges with three equivalent SeCe4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 3–41°. In the third Se2- site, Se2- is bonded to four Ce3+ and two equivalent Sn2+ atoms to form distorted SeCe4Sn2 octahedra that share corners with three equivalent SeCe3Sn trigonal pyramids, edges with four equivalent SeCe4Sn2 octahedra, and edges with three equivalent SeCe3Sn trigonal pyramids. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to three Ce3+ and two equivalent Sn2+ atoms.
DOI: 10.17188/1317191
title: Materials Data on CePS by Materials Project

description: CePS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (2.93 Å) and two longer (3.07 Å) Ce–P bond lengths. There are a spread of Ce–S bond distances ranging from 2.82–2.91 Å. In the second Ce3+ site, Ce3+ is bonded in a 9-coordinate geometry to four equivalent P1- and five S2- atoms. There are two shorter (3.09 Å) and two longer (3.10 Å) Ce–P bond lengths. There are a spread of Ce–S bond distances ranging from 2.84–2.97 Å. P1- is bonded in a distorted hexagonal planar geometry to four Ce3+ and two equivalent P1- atoms. There are one shorter (2.27 Å) and one longer (2.38 Å) P–P bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to five Ce3+ atoms to form a mixture of distorted corner and edge-sharing SCe5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Ce3+ atoms to form a mixture of distorted corner and edge-sharing SCe5 trigonal bipyramids.
DOI: 10.17188/1317192
title: Materials Data on AgSO4 by Materials Project

description: AgSO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.20 Å) and two longer (2.25 Å) Ag–O bond lengths. In the second Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.19 Å) and two longer (2.21 Å) Ag–O bond lengths. S6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.49 Å) and two longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ag2+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag2+ and one S6+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ag2+ and one S6+ atom.
DOI: 10.17188/1317193
title: Materials Data on Ce4Si3Rh4 by Materials Project

description: Ce4Rh4Si3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 5-coordinate geometry to seven Rh and four Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.97–3.36 Å. There are a spread of Ce–Si bond distances ranging from 3.07–3.28 Å. In the second Ce site, Ce is bonded in a 1-coordinate geometry to five Rh and five Si atoms. There are a spread of Ce–Rh bond distances ranging from 2.87–3.07 Å. There are a spread of Ce–Si bond distances ranging from 3.00–3.36 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six Ce and three equivalent Si atoms. There are a spread of Rh–Si bond distances ranging from 2.44–2.49 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six Ce and three Si atoms. There are a spread of Rh–Si bond distances ranging from 2.56–2.61 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to five Ce and four Rh atoms. In the second Si site, Si is bonded in a 12-coordinate geometry to eight Ce and four equivalent Rh atoms.
DOI: 10.17188/1317194
title: Materials Data on CeZnIn by Materials Project

description: CeZnIn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to six equivalent Zn and six equivalent In atoms to form a mixture of edge and face-sharing CeZn6In6 cuboctahedra. All Ce–Zn bond lengths are 3.32 Å. All Ce–In bond lengths are 3.32 Å. Zn is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent In atoms. All Zn–In bond lengths are 2.76 Å. In is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Zn atoms.
DOI: 10.17188/1317195
title: Materials Data on CuClO2 by Materials Project

description: CuO2Cl crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two CuO2Cl ribbons oriented in the (0, 1, 0) direction. Cu is bonded in a 5-coordinate geometry to two equivalent O and three equivalent Cl atoms. Both Cu–O bond lengths are 2.04 Å. There are two shorter (2.28 Å) and one longer (2.95 Å) Cu–Cl bond lengths. O is bonded in a distorted bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.28 Å. Cl is bonded in a distorted water-like geometry to three equivalent Cu atoms.
DOI: 10.17188/1317196
title: Materials Data on AgRhO2 by Materials Project

description: AgRhO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent O2- atoms to form edge-sharing RhO6 octahedra. All Rh–O bond lengths are 2.07 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.15 Å. O2- is bonded to three equivalent Rh3+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing OAgRh3 tetrahedra.
DOI: 10.17188/1317197
title: Materials Data on CuO2F by Materials Project

description: CuO2F crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu is bonded to three O and three equivalent F atoms to form a mixture of edge and corner-sharing CuO3F3 octahedra. The corner-sharing octahedral tilt angles are 50°. There are one shorter (1.95 Å) and two longer (2.06 Å) Cu–O bond lengths. There are one shorter (2.05 Å) and two longer (2.10 Å) Cu–F bond lengths. There are two inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Cu and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Cu and one O atom. The O–O bond length is 1.34 Å. F is bonded in a distorted trigonal planar geometry to three equivalent Cu atoms.
DOI: 10.17188/1317198
title: Materials Data on PbAuO2 by Materials Project

description: AuPbO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.04 Å) and two longer (2.06 Å) Au–O bond lengths. In the second Au2+ site, Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.04 Å. Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.32–2.81 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Au2+ and three equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb3Au tetrahedra. In the second O2- site, O2- is bonded to two Au2+ and two equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing OPb2Au2 tetrahedra.
DOI: 10.17188/1317199
title: Materials Data on CoAuO2 by Materials Project

description: CoAuO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co2+ is bonded to six equivalent O2- atoms to form edge-sharing CoO6 octahedra. All Co–O bond lengths are 1.94 Å. Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.12 Å. O2- is bonded to three equivalent Co2+ and one Au2+ atom to form a mixture of distorted edge and corner-sharing OCo3Au tetrahedra.
DOI: 10.17188/1317200
title: Materials Data on CrAuO2 by Materials Project

description: CrAuO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent O2- atoms to form edge-sharing CrO6 octahedra. All Cr–O bond lengths are 2.03 Å. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.10 Å. O2- is bonded to three equivalent Cr3+ and one Au1+ atom to form a mixture of distorted edge and corner-sharing OCr3Au tetrahedra.
DOI: 10.17188/1317201
title: Materials Data on CoAuO2 by Materials Project

description: CoAuO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Co2+ is bonded to six equivalent O2- atoms to form edge-sharing CoO6 octahedra. All Co–O bond lengths are 1.94 Å. Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.12 Å. O2- is bonded to three equivalent Co2+ and one Au2+ atom to form a mixture of distorted edge and corner-sharing OCo3Au tetrahedra.
DOI: 10.17188/1317202
title: Materials Data on MnAgO2 by Materials Project

description: AgMnO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn3+ is bonded to six equivalent O2- atoms to form edge-sharing MnO6 octahedra. All Mn–O bond lengths are 2.07 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.11 Å. O2- is bonded to three equivalent Mn3+ and one Ag1+ atom to form a mixture of distorted corner and edge-sharing OMn3Ag tetrahedra.
DOI: 10.17188/1317203
title: Materials Data on MnAuO2 by Materials Project

description: MnAuO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent O2- atoms to form edge-sharing MnO6 octahedra. All Mn–O bond lengths are 2.09 Å. Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.07 Å. O2- is bonded to three equivalent Mn2+ and one Au2+ atom to form a mixture of distorted edge and corner-sharing OMn3Au tetrahedra.
DOI: 10.17188/1317204
title: Materials Data on NiAuO2 by Materials Project

description: NiAuO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ni2+ is bonded to six equivalent O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 2.02 Å. Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.03 Å. O2- is bonded to three equivalent Ni2+ and one Au2+ atom to form a mixture of distorted corner and edge-sharing ONi3Au tetrahedra.
DOI: 10.17188/1317205
title: Materials Data on VCuO2 by Materials Project

description: CuVO2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V3+ is bonded to six equivalent O2- atoms to form edge-sharing VO6 octahedra. All V–O bond lengths are 2.05 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. O2- is bonded to three equivalent V3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing OV3Cu trigonal pyramids.
DOI: 10.17188/1317206
title: Materials Data on VCuO2 by Materials Project

description: CuVO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V3+ is bonded to six equivalent O2- atoms to form edge-sharing VO6 octahedra. All V–O bond lengths are 2.05 Å. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.85 Å. O2- is bonded to three equivalent V3+ and one Cu1+ atom to form a mixture of distorted edge and corner-sharing OV3Cu trigonal pyramids.
DOI: 10.17188/1317207
title: Materials Data on C by Materials Project

description: C is rhombohedral graphite-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two C sheets oriented in the (0, 0, 1) direction. C is bonded in a trigonal planar geometry to three equivalent C atoms. All C–C bond lengths are 1.42 Å.
DOI: 10.17188/1317208
title: Materials Data on MnAuO2 by Materials Project

description: MnAuO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent O2- atoms to form edge-sharing MnO6 octahedra. There are four shorter (1.99 Å) and two longer (2.28 Å) Mn–O bond lengths. Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.07 Å. O2- is bonded to three equivalent Mn2+ and one Au2+ atom to form a mixture of distorted edge and corner-sharing OMn3Au tetrahedra.
DOI: 10.17188/1317209
title: Materials Data on YSi by Materials Project

description: YSi crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 5-coordinate geometry to seven equivalent Si atoms. There are a spread of Y–Si bond distances ranging from 2.96–3.13 Å. Si is bonded in a 9-coordinate geometry to seven equivalent Y and two equivalent Si atoms. Both Si–Si bond lengths are 2.50 Å.
DOI: 10.17188/1317210
title: Materials Data on VB by Materials Project

description: VB1 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. V3+ is bonded in a 7-coordinate geometry to seven equivalent B3- atoms. There are a spread of V–B bond distances ranging from 2.24–2.33 Å. B3- is bonded in a 9-coordinate geometry to seven equivalent V3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.79 Å.
DOI: 10.17188/1317211
title: Materials Data on NbAgF6 by Materials Project

description: AgNbF6 crystallizes in the tetragonal P4_2/mcm space group. The structure is three-dimensional. Nb5+ is bonded in an octahedral geometry to six F1- atoms. There is two shorter (1.94 Å) and four longer (1.95 Å) Nb–F bond length. Ag1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.46 Å) and four longer (2.94 Å) Ag–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb5+ and two equivalent Ag1+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Nb5+ and one Ag1+ atom.
DOI: 10.17188/1317214
title: Materials Data on Cu3OF5 by Materials Project

description: Cu3OF5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded to one O2- and five F1- atoms to form a mixture of distorted edge and corner-sharing CuOF5 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. The Cu–O bond length is 1.85 Å. There are a spread of Cu–F bond distances ranging from 1.90–2.44 Å. In the second Cu+2.33+ site, Cu+2.33+ is bonded to one O2- and five F1- atoms to form a mixture of edge and corner-sharing CuOF5 octahedra. The corner-sharing octahedra tilt angles range from 40–62°. The Cu–O bond length is 1.86 Å. There are a spread of Cu–F bond distances ranging from 1.95–2.32 Å. In the third Cu+2.33+ site, Cu+2.33+ is bonded to two equivalent O2- and four F1- atoms to form a mixture of edge and corner-sharing CuO2F4 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. Both Cu–O bond lengths are 1.89 Å. There are two shorter (2.09 Å) and two longer (2.11 Å) Cu–F bond lengths. In the fourth Cu+2.33+ site, Cu+2.33+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing CuF6 octahedra. The corner-sharing octahedra tilt angles range from 45–62°. There are four shorter (1.93 Å) and two longer (2.27 Å) Cu–F bond lengths. O2- is bonded in a trigonal planar geometry to three Cu+2.33+ atoms. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three Cu+2.33+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three Cu+2.33+ atoms. In the third F1- site, F1- is bonded in a 3-coordinate geometry to three Cu+2.33+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three Cu+2.33+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to three Cu+2.33+ atoms.
DOI: 10.17188/1317216
title: Materials Data on Fe4OF7 (SG:36) 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: 10.17188/1317217
title: Materials Data on Co3(OF2)2 (SG:58) 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: 10.17188/1317218
title: Materials Data on Li3Cr2CuO6 (SG: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: 10.17188/1317220
title: Materials Data on Li6TiCr3(PO4)6 (SG:1) 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: 10.17188/1317221
title: Materials Data on Li4Ni7O12 (SG:1) 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: 10.17188/1317223
title: Materials Data on Mn3Co2Sn(PO4)6 (SG:146) 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: 10.17188/1317224
title: Materials Data on Li4Co15O28 (SG: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: 10.17188/1317225
title: Materials Data on La11V12O36 (SG:1) 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