cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1737286
title: Materials Data on HoB2Ru by Materials Project

description: HoRuB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are a spread of Ho–B bond distances ranging from 2.62–2.96 Å. Ru3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are two shorter (2.24 Å) and four longer (2.27 Å) Ru–B bond lengths. B3- is bonded in a 9-coordinate geometry to four equivalent Ho3+, three equivalent Ru3+, and two equivalent B3- atoms. There is one shorter (1.76 Å) and one longer (1.85 Å) B–B bond length.
DOI: 10.17188/1737287
title: Materials Data on Li2MnP2O7 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: 10.17188/1737288
title: Materials Data on V4P2O13 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: 10.17188/1737289
title: Materials Data on YbHoPt2 by Materials Project

description: YbHoPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Yb–Pt bond lengths are 2.99 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Ho–Pt bond lengths are 2.99 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Ho atoms.
DOI: 10.17188/1737291
title: Materials Data on Al2(SeO4)3 by Materials Project

description: Al2Se3O10O2 crystallizes in the monoclinic Cc space group. The structure is one-dimensional and consists of four hydrogen peroxide molecules and two Al2Se3O10 ribbons oriented in the (0, 0, 1) direction. In each Al2Se3O10 ribbon, there are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six O2- atoms to form edge-sharing AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.88–2.00 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.75–1.88 Å. There are three inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.63–2.13 Å. In the second Se6+ site, Se6+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.63–1.93 Å. In the third Se6+ site, Se6+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.79 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se6+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Se6+ and one O2- atom. The O–O bond length is 1.45 Å. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Al3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Al3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to one Al3+ and one O2- atom. In the seventh O2- site, O2- is bonded in a water-like geometry to one Al3+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one Se6+ atom. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Se6+ atom. In the tenth O2- site, O2- is bonded in a water-like geometry to one Al3+ and one Se6+ atom.
DOI: 10.17188/1737292
title: Materials Data on Fe3O4 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: 10.17188/1737293
title: Materials Data on MnAu3 by Materials Project

description: Au3Mn crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mn3+ is bonded in a 6-coordinate geometry to six equivalent Au1- atoms. All Mn–Au bond lengths are 2.69 Å. There are five inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 12-coordinate geometry to three equivalent Mn3+ and three equivalent Au1- atoms. All Au–Au bond lengths are 2.94 Å. In the second Au1- site, Au1- is bonded to twelve Au1- atoms to form a mixture of edge, corner, and face-sharing AuAu12 cuboctahedra. All Au–Au bond lengths are 3.05 Å. In the third Au1- site, Au1- is bonded in a 12-coordinate geometry to three equivalent Mn3+ and three equivalent Au1- atoms. All Au–Mn bond lengths are 2.69 Å. All Au–Au bond lengths are 2.94 Å. In the fourth Au1- site, Au1- is bonded to sixteen Au1- atoms to form a mixture of edge, corner, and face-sharing AuAu16 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.94–6.10 Å. In the fifth Au1- site, Au1- is bonded in a 12-coordinate geometry to three equivalent Mn3+ and three equivalent Au1- atoms. All Au–Mn bond lengths are 2.69 Å.
DOI: 10.17188/1737295
title: Materials Data on AlCuBr4 by Materials Project

description: CuAlBr4 crystallizes in the tetragonal P-42c space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent Br1- atoms to form CuBr4 tetrahedra that share corners with four equivalent AlBr4 tetrahedra. All Cu–Br bond lengths are 2.49 Å. Al3+ is bonded to four equivalent Br1- atoms to form AlBr4 tetrahedra that share corners with four equivalent CuBr4 tetrahedra. All Al–Br bond lengths are 2.35 Å. Br1- is bonded in a water-like geometry to one Cu1+ and one Al3+ atom.
DOI: 10.17188/1737297
title: Materials Data on MnO2 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: 10.17188/1737298
title: Materials Data on Dy2Co12P7 by Materials Project

description: Dy2Co12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six equivalent P3- atoms to form distorted DyP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, corners with six equivalent CoP5 trigonal bipyramids, edges with twelve CoP4 tetrahedra, and faces with two equivalent DyP6 pentagonal pyramids. All Dy–P bond lengths are 2.86 Å. In the second Dy3+ site, Dy3+ is bonded to six equivalent P3- atoms to form distorted DyP6 pentagonal pyramids that share corners with twelve CoP4 tetrahedra, corners with six equivalent CoP5 trigonal bipyramids, edges with nine CoP4 tetrahedra, edges with three equivalent CoP5 trigonal bipyramids, and faces with two equivalent DyP6 pentagonal pyramids. All Dy–P bond lengths are 2.84 Å. There are four inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent DyP6 pentagonal pyramids, corners with twelve CoP4 tetrahedra, corners with two equivalent CoP5 trigonal bipyramids, edges with three DyP6 pentagonal pyramids, edges with three CoP4 tetrahedra, and edges with two equivalent CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.25–2.30 Å. In the second Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with four DyP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, corners with two equivalent CoP5 trigonal bipyramids, an edgeedge with one DyP6 pentagonal pyramid, edges with three CoP4 tetrahedra, and edges with four equivalent CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.14–2.28 Å. In the third Co+1.25+ site, Co+1.25+ is bonded to four P3- atoms to form CoP4 tetrahedra that share corners with two equivalent DyP6 pentagonal pyramids, corners with ten CoP4 tetrahedra, corners with four equivalent CoP5 trigonal bipyramids, edges with three DyP6 pentagonal pyramids, edges with four CoP4 tetrahedra, and an edgeedge with one CoP5 trigonal bipyramid. There are a spread of Co–P bond distances ranging from 2.25–2.32 Å. In the fourth Co+1.25+ site, Co+1.25+ is bonded to five P3- atoms to form distorted CoP5 trigonal bipyramids that share corners with four DyP6 pentagonal pyramids, corners with eight CoP4 tetrahedra, corners with four equivalent CoP5 trigonal bipyramids, an edgeedge with one DyP6 pentagonal pyramid, edges with seven CoP4 tetrahedra, and edges with four equivalent CoP5 trigonal bipyramids. There are a spread of Co–P bond distances ranging from 2.23–2.56 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Dy3+ and seven Co+1.25+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Dy3+ and seven Co+1.25+ atoms. In the third P3- site, P3- is bonded in a 3-coordinate geometry to nine Co+1.25+ atoms.
DOI: 10.17188/1737299
title: Materials Data on MoH4O5 by Materials Project

description: H2MoO4H2O crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of two water molecules and one H2MoO4 sheet oriented in the (0, 1, 0) direction. In the H2MoO4 sheet, there are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.33 Å. In the second Mo6+ site, Mo6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.35 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Mo6+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo6+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Mo6+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mo6+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Mo6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mo6+ and one H1+ atom.
DOI: 10.17188/1737300
title: Materials Data on Ba2AlCu3O7 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: 10.17188/1737301
title: Materials Data on EuIn6Ni7 by Materials Project

description: EuNi7In6 is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to four equivalent Ni and twelve In atoms. All Eu–Ni bond lengths are 3.34 Å. There are eight shorter (3.47 Å) and four longer (3.51 Å) Eu–In bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to one Eu, five Ni, and five In atoms. There are a spread of Ni–Ni bond distances ranging from 2.51–2.78 Å. There are a spread of Ni–In bond distances ranging from 2.61–2.75 Å. In the second Ni site, Ni is bonded in a cuboctahedral geometry to six Ni and six In atoms. Both Ni–Ni bond lengths are 2.49 Å. There are two shorter (2.67 Å) and four longer (2.87 Å) Ni–In bond lengths. In the third Ni site, Ni is bonded in a 10-coordinate geometry to three Ni and seven In atoms. There are a spread of Ni–In bond distances ranging from 2.71–2.86 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to two equivalent Eu, six Ni, and five In atoms. There are a spread of In–In bond distances ranging from 2.97–3.05 Å. In the second In site, In is bonded in a 6-coordinate geometry to two equivalent Eu, seven Ni, and two equivalent In atoms.
DOI: 10.17188/1737302
title: Materials Data on Ce5Sn3 by Materials Project

description: Ce5Sn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Ce–Sn bond lengths are 3.31 Å. In the second Ce site, Ce is bonded in a 5-coordinate geometry to five equivalent Sn atoms. There are a spread of Ce–Sn bond distances ranging from 3.20–3.48 Å. Sn is bonded in a 9-coordinate geometry to nine Ce atoms.
DOI: 10.17188/1737303
title: Materials Data on K3(SeO4)2 by Materials Project

description: K3(SeO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.77–3.26 Å. In the second K site, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.81–3.35 Å. Se is bonded in a tetrahedral geometry to four O atoms. There are a spread of Se–O bond distances ranging from 1.66–1.72 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to four K and one Se atom. In the second O site, O is bonded in a 1-coordinate geometry to four K and one Se atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one Se atom. In the fourth O site, O is bonded in a distorted single-bond geometry to four K and one Se atom.
DOI: 10.17188/1737304
title: Materials Data on Ca2CuPd by Materials Project

description: Ca2PdCu crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2PdCu ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Pd and one Cu atom. The Ca–Pd bond length is 2.57 Å. The Ca–Cu bond length is 2.84 Å. Pd is bonded in a linear geometry to two equivalent Ca atoms. Cu is bonded in a linear geometry to two equivalent Ca atoms.
DOI: 10.17188/1737305
title: Materials Data on Sr2Nb(NO)2 by Materials Project

description: Sr2Nb(NO)2 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to four equivalent N+2.50- and five equivalent O2- atoms. All Sr–N bond lengths are 2.80 Å. There are one shorter (2.46 Å) and four longer (2.88 Å) Sr–O bond lengths. Nb5+ is bonded to four equivalent N+2.50- and two equivalent O2- atoms to form corner-sharing NbN4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–N bond lengths are 2.03 Å. Both Nb–O bond lengths are 2.11 Å. N+2.50- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Nb5+ atoms. O2- is bonded to five equivalent Sr2+ and one Nb5+ atom to form a mixture of distorted edge and corner-sharing OSr5Nb octahedra. The corner-sharing octahedra tilt angles range from 0–7°.
DOI: 10.17188/1737306
title: Materials Data on RbInBr3 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: 10.17188/1737307
title: Materials Data on Fe5NiN4 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: 10.17188/1737308
title: Materials Data on CsN2 by Materials Project

description: NNCs crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to eight N+0.50- atoms. There are a spread of Cs–N bond distances ranging from 3.12–3.74 Å. There are three inequivalent N+0.50- sites. In the first N+0.50- site, N+0.50- is bonded in a body-centered cubic geometry to eight equivalent Cs1+ atoms. In the second N+0.50- site, N+0.50- is bonded to four equivalent Cs1+ and two equivalent N+0.50- atoms to form distorted edge-sharing NCs4N2 octahedra. Both N–N bond lengths are 1.19 Å. In the third N+0.50- site, N+0.50- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and one N+0.50- atom.
DOI: 10.17188/1737309
title: Materials Data on RbBi3S5 by Materials Project

description: RbBi3S5 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Rb1+ is bonded in a 2-coordinate geometry to nine S2- atoms. There are a spread of Rb–S bond distances ranging from 3.18–3.99 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing BiS6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Bi–S bond distances ranging from 2.72–3.00 Å. In the second Bi3+ site, Bi3+ is bonded to six S2- atoms to form a mixture of distorted corner and edge-sharing BiS6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Bi–S bond distances ranging from 2.65–3.32 Å. In the third Bi3+ site, Bi3+ is bonded to six S2- atoms to form a mixture of corner and edge-sharing BiS6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are three shorter (2.78 Å) and three longer (3.02 Å) Bi–S bond lengths. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Bi3+ atoms. In the second S2- site, S2- is bonded to six Bi3+ atoms to form edge-sharing SBi6 octahedra. In the third S2- site, S2- is bonded in a square co-planar geometry to four equivalent Rb1+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and three Bi3+ atoms. In the fifth S2- site, S2- is bonded to two equivalent Rb1+ and four Bi3+ atoms to form SRb2Bi4 octahedra that share corners with three equivalent SRbBi5 octahedra and edges with seven SBi6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. In the sixth S2- site, S2- is bonded to one Rb1+ and five Bi3+ atoms to form distorted SRbBi5 octahedra that share corners with three equivalent SRb2Bi4 octahedra and edges with seven SBi6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°.
DOI: 10.17188/1737312
title: Materials Data on BaMnF5 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: 10.17188/1737313
title: Materials Data on Li4Fe(SiO4)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: 10.17188/1737314
title: Materials Data on CsAgO2 by Materials Project

description: CsAgO2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are two shorter (2.98 Å) and four longer (3.23 Å) Cs–O bond lengths. Ag3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Ag–O bond lengths are 2.04 Å. O2- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Ag3+ atoms.
DOI: 10.17188/1737315
title: Materials Data on NaTc2N5OF12 by Materials Project

description: (NaTc2N2OF12)2(N2)3 crystallizes in the orthorhombic Pbam space group. The structure is two-dimensional and consists of six ammonia molecules and two NaTc2N2OF12 sheets oriented in the (0, 0, 1) direction. In each NaTc2N2OF12 sheet, Na1+ is bonded to six F1- atoms to form NaF6 octahedra that share corners with four equivalent TcOF5 octahedra. The corner-sharing octahedral tilt angles are 9°. There are four shorter (2.39 Å) and two longer (2.69 Å) Na–F bond lengths. Tc6+ is bonded to one O2- and five F1- atoms to form TcOF5 octahedra that share a cornercorner with one TcOF5 octahedra and corners with two equivalent NaF6 octahedra. The corner-sharing octahedra tilt angles range from 0–9°. The Tc–O bond length is 1.86 Å. There are a spread of Tc–F bond distances ranging from 1.87–1.93 Å. N+0.20+ is bonded in a single-bond geometry to one F1- atom. The N–F bond length is 1.35 Å. O2- is bonded in a linear geometry to two equivalent Tc6+ atoms. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted water-like geometry to one Na1+ and one N+0.20+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Tc6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Tc6+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Na1+ and one Tc6+ atom.
DOI: 10.17188/1737316
title: Materials Data on Eu by Materials Project

description: Eu is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to twelve Eu atoms to form a mixture of corner, edge, and face-sharing EuEu12 cuboctahedra. There are six shorter (3.94 Å) and six longer (3.96 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to twelve Eu atoms to form a mixture of corner, edge, and face-sharing EuEu12 cuboctahedra. All Eu–Eu bond lengths are 3.96 Å.
DOI: 10.17188/1737318
title: Materials Data on Sr(MnN)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: 10.17188/1737319
title: Materials Data on Ti3O 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