cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1737379
title: Materials Data on LaGaGe2O7 by Materials Project

description: LaGaGe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.81 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with five GeO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.88–2.04 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent GaO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.73–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent GaO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.77–1.83 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one La3+, one Ga3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent La3+, one Ga3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one La3+, one Ga3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ga3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one La3+, one Ga3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one La3+ and two Ge4+ atoms.
DOI: 10.17188/1737380
title: Materials Data on Nb3I by Materials Project

description: Nb3I is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to four equivalent I atoms. There are two shorter (3.04 Å) and two longer (3.15 Å) Nb–I bond lengths. I is bonded to twelve equivalent Nb atoms to form a mixture of corner and face-sharing INb12 cuboctahedra.
DOI: 10.17188/1737381
title: Materials Data on Li2SiNiO4 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: 10.17188/1737383
title: Materials Data on Hg2SeS by Materials Project

description: Hg2SeS is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hg2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form corner-sharing HgSe2S2 tetrahedra. Both Hg–Se bond lengths are 2.70 Å. Both Hg–S bond lengths are 2.62 Å. Se2- is bonded to four equivalent Hg2+ atoms to form SeHg4 tetrahedra that share corners with four equivalent SeHg4 tetrahedra and corners with eight equivalent SHg4 tetrahedra. S2- is bonded to four equivalent Hg2+ atoms to form SHg4 tetrahedra that share corners with four equivalent SHg4 tetrahedra and corners with eight equivalent SeHg4 tetrahedra.
DOI: 10.17188/1737384
title: Materials Data on Sb3IO4 by Materials Project

description: Sb3O4I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 2-coordinate geometry to three O2- and one I1- atom. There are two shorter (2.01 Å) and one longer (2.63 Å) Sb–O bond lengths. The Sb–I bond length is 2.91 Å. In the second Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to three O2- and one I1- atom. There are a spread of Sb–O bond distances ranging from 2.05–2.24 Å. The Sb–I bond length is 2.83 Å. In the third Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and one I1- atom. There are a spread of Sb–O bond distances ranging from 1.98–2.10 Å. The Sb–I bond length is 3.28 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and one I1- atom. There are a spread of Sb–O bond distances ranging from 1.97–2.10 Å. The Sb–I bond length is 3.39 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.97–2.00 Å. In the sixth Sb3+ site, Sb3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.00 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Sb3+ and one I1- atom. The O–I bond length is 3.43 Å. In the third O2- site, O2- is bonded in a distorted water-like geometry to two Sb3+ and two equivalent I1- atoms. There are one shorter (3.15 Å) and one longer (3.49 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a water-like geometry to two Sb3+ and two equivalent I1- atoms. There are one shorter (3.46 Å) and one longer (3.65 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.95 Å. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and two equivalent I1- atoms. There are one shorter (3.59 Å) and one longer (3.91 Å) O–I bond lengths. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb3+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to two Sb3+ and four O2- atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to two Sb3+ and four O2- atoms.
DOI: 10.17188/1737385
title: Materials Data on Dy5Bi3 by Materials Project

description: Dy5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Dy sites. In the first Dy site, Dy is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.12–3.54 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.14–3.53 Å. In the third Dy site, Dy is bonded to five Bi atoms to form distorted edge-sharing DyBi5 square pyramids. There are a spread of Dy–Bi bond distances ranging from 3.18–3.27 Å. In the fourth Dy site, Dy is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Dy–Bi bond distances ranging from 3.07–3.38 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Dy atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Dy atoms.
DOI: 10.17188/1737386
title: Materials Data on EuTl3 by Materials Project

description: EuTl3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Eu is bonded to twelve Tl atoms to form a mixture of corner and face-sharing EuTl12 cuboctahedra. There are a spread of Eu–Tl bond distances ranging from 3.44–3.64 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 4-coordinate geometry to four equivalent Eu atoms. In the second Tl site, Tl is bonded in a 4-coordinate geometry to four equivalent Eu atoms.
DOI: 10.17188/1737387
title: Materials Data on Mn2F5 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: 10.17188/1737388
title: Materials Data on TmZnGa by Materials Project

description: TmZnGa is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to six equivalent Zn and six equivalent Ga atoms to form a mixture of edge and face-sharing TmZn6Ga6 cuboctahedra. All Tm–Zn bond lengths are 3.09 Å. All Tm–Ga bond lengths are 3.09 Å. Zn is bonded in a 3-coordinate geometry to six equivalent Tm and three equivalent Ga atoms. All Zn–Ga bond lengths are 2.54 Å. Ga is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Zn atoms.
DOI: 10.17188/1737739
title: Materials Data on Zr2ReIr by Materials Project

description: Zr2ReIr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Zr2ReIr ribbons oriented in the (1, 0, 0) direction. Zr is bonded in a linear geometry to one Re and one Ir atom. The Zr–Re bond length is 2.41 Å. The Zr–Ir bond length is 2.40 Å. Re is bonded in a linear geometry to two equivalent Zr atoms. Ir is bonded in a linear geometry to two equivalent Zr atoms.
DOI: 10.17188/1737740
title: Materials Data on Nb5SiB2 by Materials Project

description: Nb5SiB2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded to four equivalent B3- and two equivalent Si4- atoms to form distorted NbSi2B4 octahedra that share corners with six equivalent NbSi2B4 octahedra, corners with sixteen equivalent NbSi2B3 trigonal bipyramids, and faces with eight equivalent NbSi2B3 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 0–57°. All Nb–B bond lengths are 2.53 Å. Both Nb–Si bond lengths are 2.92 Å. In the second Nb2+ site, Nb2+ is bonded to three equivalent B3- and two equivalent Si4- atoms to form NbSi2B3 trigonal bipyramids that share corners with four equivalent NbSi2B4 octahedra, corners with twelve equivalent NbSi2B3 trigonal bipyramids, edges with seven equivalent NbSi2B3 trigonal bipyramids, faces with two equivalent NbSi2B4 octahedra, and a faceface with one NbSi2B3 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 42–61°. There are two shorter (2.42 Å) and one longer (2.51 Å) Nb–B bond lengths. Both Nb–Si bond lengths are 2.68 Å. B3- is bonded in a 9-coordinate geometry to eight Nb2+ and one B3- atom. The B–B bond length is 2.01 Å. Si4- is bonded in a 10-coordinate geometry to ten Nb2+ atoms.
DOI: 10.17188/1737742
title: Materials Data on CoNi3 by Materials Project

description: Ni3Co1 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Co is bonded to twelve equivalent Ni atoms to form CoNi12 cuboctahedra that share corners with twelve equivalent CoNi12 cuboctahedra, edges with twenty-four equivalent NiCo4Ni8 cuboctahedra, faces with six equivalent CoNi12 cuboctahedra, and faces with twelve equivalent NiCo4Ni8 cuboctahedra. All Co–Ni bond lengths are 2.49 Å. Ni is bonded to four equivalent Co and eight equivalent Ni atoms to form NiCo4Ni8 cuboctahedra that share corners with twelve equivalent NiCo4Ni8 cuboctahedra, edges with eight equivalent CoNi12 cuboctahedra, edges with sixteen equivalent NiCo4Ni8 cuboctahedra, faces with four equivalent CoNi12 cuboctahedra, and faces with fourteen equivalent NiCo4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.
DOI: 10.17188/1737744
title: Materials Data on Li2Cu(Si2O5)2 by Materials Project

description: Li2Cu(Si2O5)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.93–2.09 Å. In the second Li1+ site, Li1+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.94–2.07 Å. Cu2+ is bonded to four O2- atoms to form distorted CuO4 trigonal pyramids that share corners with four SiO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.89–2.15 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and a cornercorner with one CuO4 trigonal pyramid. There are a spread of Si–O bond distances ranging from 1.62–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and a cornercorner with one CuO4 trigonal pyramid. There is one shorter (1.62 Å) and three longer (1.64 Å) Si–O bond length. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and a cornercorner with one CuO4 trigonal pyramid. There are a spread of Si–O bond distances ranging from 1.62–1.66 Å. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with three SiO4 tetrahedra and a cornercorner with one CuO4 trigonal pyramid. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Cu2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Cu2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Cu2+, and one Si4+ atom. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Si4+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Li1+, one Cu2+, and one Si4+ atom. In the tenth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+ and two Si4+ atoms.
DOI: 10.17188/1737746
title: Materials Data on NaUN3O11 by Materials Project

description: NaUN3O11 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Na1+ is bonded in a distorted octahedral geometry to six O2- atoms. There are three shorter (2.41 Å) and three longer (2.46 Å) Na–O bond lengths. U6+ is bonded in a distorted linear geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 1.79–2.49 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.21 Å) and two longer (1.30 Å) N–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one U6+, and one N5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one U6+, and one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.
DOI: 10.17188/1737747
title: Materials Data on C15BrCl6 by Materials Project

description: (C)9(CCl)6Br crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two bromine molecules, twenty-four chloromethane molecules, six ethyne molecules, and twenty-four methane molecules.
DOI: 10.17188/1737748
title: Materials Data on DyUTe4 by Materials Project

description: UDyTe4 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.06–3.22 Å. Dy3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Dy–Te bond distances ranging from 3.07–3.26 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing TeDy2U2 trigonal pyramids. In the second Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Dy3+ atoms to form a mixture of distorted edge and corner-sharing TeDy2U2 trigonal pyramids. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent U5+ and two equivalent Dy3+ atoms.
DOI: 10.17188/1737750
title: Materials Data on V3Co2P6WO24 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: 10.17188/1737751
title: Materials Data on LiCu2Au by Materials Project

description: LiAuCu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiAuCu2 ribbons oriented in the (1, 0, 0) direction. Li is bonded in a linear geometry to two equivalent Cu atoms. Both Li–Cu bond lengths are 2.48 Å. Au is bonded in a linear geometry to two equivalent Cu atoms. Both Au–Cu bond lengths are 2.43 Å. Cu is bonded in a linear geometry to one Li and one Au atom.
DOI: 10.21942/uva.13693702.v11
title: Geomorphology model, input datasets and legend symbology files for use in ArcGIS Pro

description: Original model developed in 2016-17 in ArcGIS by Henk Pieter Sterk (www.rfase.org), with minor updates in 2021 by Stacy Shinneman and Henk Pieter Sterk. Model used to generate publication results:Hierarchical geomorphological mapping in mountainous areas Matheus G.G. De Jong, Henk Pieter Sterk, Stacy Shinneman & Arie C. Seijmonsbergen. Submitted to Journal of Maps 2020, revisions made in 2021.<br>This model creates tiers (columns) of geomorphological features (Tier 1, Tier 2 and Tier 3) in the landscape of Vorarlberg, Austria, each with an increasing level of detail. The input dataset needed to create this 'three-tier-legend' is a geomorphological map of Vorarlberg with a Tier 3 category (e.g. 1111, for glacially eroded bedrock). The model then automatically adds Tier 1, Tier 2 and Tier 3 categories based on the Tier 3 code in the 'Geomorph' field. The model replaces the input file with an updated shapefile of the geomorphology of Vorarlberg, now including three tiers of geomorphological features. Python script files and .lyr symbology files are also provided here.
DOI: 10.21942/uva.13693702.v12
title: Geomorphology model, input datasets and legend symbology files for use in ArcGIS Pro

description: Original model developed in 2016-17 in ArcGIS by Henk Pieter Sterk (www.rfase.org), with minor updates in 2021 by Stacy Shinneman and Henk Pieter Sterk. Model used to generate publication results:Hierarchical geomorphological mapping in mountainous areas Matheus G.G. De Jong, Henk Pieter Sterk, Stacy Shinneman & Arie C. Seijmonsbergen. Submitted to Journal of Maps 2020, revisions made in 2021.<br>This model creates tiers (columns) of geomorphological features (Tier 1, Tier 2 and Tier 3) in the landscape of Vorarlberg, Austria, each with an increasing level of detail. The input dataset needed to create this 'three-tier-legend' is a geomorphological map of Vorarlberg with a Tier 3 category (e.g. 1111, for glacially eroded bedrock). The model then automatically adds Tier 1, Tier 2 and Tier 3 categories based on the Tier 3 code in the 'Geomorph' field. The model replaces the input file with an updated shapefile of the geomorphology of Vorarlberg, now including three tiers of geomorphological features. Python script files and .lyr symbology files are also provided here.
DOI: 10.17188/1737752
title: Materials Data on LiMn4(PO4)3 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: 10.17188/1737753
title: Materials Data on La2ZnCu by Materials Project

description: La2CuZn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two La2CuZn ribbons oriented in the (0, 1, 0) direction. La is bonded in a linear geometry to one Cu and one Zn atom. The La–Cu bond length is 2.49 Å. The La–Zn bond length is 2.89 Å. Cu is bonded in a linear geometry to two equivalent La atoms. Zn is bonded in a linear geometry to two equivalent La atoms.
DOI: 10.17188/1737756
title: Materials Data on Mg2Ti3AlS8 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: 10.17188/1737757
title: Materials Data on SmFeGe2O7 by Materials Project

description: SmFeGe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sm–O bond distances ranging from 2.34–2.72 Å. Fe3+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share corners with five GeO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.93–2.04 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent FeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.73–1.80 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent FeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.83 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sm3+ and two Ge4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sm3+, one Fe3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Sm3+, one Fe3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+, one Fe3+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Sm3+, one Fe3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sm3+, one Fe3+, and one Ge4+ atom.
DOI: 10.17188/1737758
title: Materials Data on Sr3YN3 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: 10.17188/1737759
title: Materials Data on Li3Mn2CoO6 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: 10.17188/1737787
title: Materials Data on B2O3 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