cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1273076
title: Materials Data on Rb2Cr2O7 (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: 10.17188/1273077
title: Materials Data on BaLiCrF6 (SG:14) 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: 10.17188/1273078
title: Materials Data on Fe2Cu3(SeO3)6 (SG:14) 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: 10.17188/1273079
title: Materials Data on VP2O7 (SG:122) 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: 10.17188/1273080
title: Materials Data on K2VPO6 (SG:14) 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: 10.17188/1273081
title: Materials Data on NaAl(MoO4)2 (SG:15) 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: 10.17188/1273082
title: Materials Data on Sr9TmV7O28 (SG:161) 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: 10.17188/1273083
title: Materials Data on K4V2O7 (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: 10.17188/1273084
title: Materials Data on K2MoAs2O9 (SG:14) 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: 10.17188/1273085
title: Materials Data on Li2Mn2NiO6 (SG:64) 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: 10.17188/1273086
title: Materials Data on BaFe12O19 (SG:194) 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: 10.17188/1273087
title: Materials Data on Gd3BWO9 (SG:173) 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: 10.17188/1273088
title: Materials Data on WXeOF6 (SG:14) 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: 10.17188/1273089
title: Materials Data on V3Cd5P6O25 (SG:15) 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: 10.17188/1273090
title: Materials Data on Rb2CaV2O7 (SG:14) 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: 10.17188/1273091
title: Materials Data on Cu4GeS4 by Materials Project

description: Cu4GeS4 is Chalcostibite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are eight inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.37 Å. In the second Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to four S2- atoms. There are a spread of Cu–S bond distances ranging from 2.27–3.01 Å. In the third Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with four CuS4 tetrahedra and corners with four GeS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.29–2.36 Å. In the fourth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.25–2.35 Å. In the fifth Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three S2- atoms. There are two shorter (2.25 Å) and one longer (2.28 Å) Cu–S bond lengths. In the sixth Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra and corners with four GeS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.26–2.37 Å. In the seventh Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are a spread of Cu–S bond distances ranging from 2.23–2.39 Å. In the eighth Cu1+ site, Cu1+ is bonded to four S2- atoms to form CuS4 tetrahedra that share corners with two equivalent CuS4 tetrahedra and corners with four GeS4 tetrahedra. There are a spread of Cu–S bond distances ranging from 2.26–2.38 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with five CuS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.27–2.33 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with seven CuS4 tetrahedra. There are two shorter (2.28 Å) and two longer (2.32 Å) Ge–S bond lengths. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Cu1+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three Cu1+ and one Ge4+ atom. In the third S2- site, S2- is bonded to three Cu1+ and one Ge4+ atom to form corner-sharing SCu3Ge tetrahedra. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to four Cu1+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded in a distorted pentagonal planar geometry to four Cu1+ and one Ge4+ atom. In the sixth S2- site, S2- is bonded to three Cu1+ and one Ge4+ atom to form distorted corner-sharing SCu3Ge tetrahedra. In the seventh S2- site, S2- is bonded in a 5-coordinate geometry to four Cu1+ and one Ge4+ atom. In the eighth S2- site, S2- is bonded to three Cu1+ and one Ge4+ atom to form corner-sharing SCu3Ge tetrahedra.
DOI: 10.17188/1273092
title: Materials Data on BaMnO3 (SG:194) 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: 10.17188/1273093
title: Materials Data on Na3NbAs2O9 by Materials Project

description: Na3NbO(AsO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.31–2.93 Å. In the second Na1+ site, Na1+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.34–2.50 Å. In the third Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.45 Å. Nb5+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.82–2.26 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.76–2.52 Å. In the second As5+ site, As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.81–1.85 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to two Na1+, one Nb5+, and one As5+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one Nb5+, and one As5+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two Na1+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to one Na1+ and two As5+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one Nb5+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Na1+ and one O2- atom. The O–O bond length is 1.38 Å. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Nb5+, and one O2- atom. The O–O bond length is 1.44 Å. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+, one Nb5+, and one As5+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two Na1+, one As5+, and one O2- atom.
DOI: 10.17188/1273094
title: Materials Data on Na3WO4F (SG:62) 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: 10.17188/1273095
title: Materials Data on Cu3P4S4I3 by Materials Project

description: (CuI)2CuP4S4I crystallizes in the hexagonal P6_3cm space group. The structure is one-dimensional and consists of two CuI ribbons oriented in the (0, 0, 1) direction and one CuP4S4I ribbon oriented in the (0, 0, 1) direction. In each CuI ribbon, Cu+1.67+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent I1- atoms. There are two shorter (2.64 Å) and one longer (2.68 Å) Cu–I bond lengths. I1- is bonded in a trigonal non-coplanar geometry to three equivalent Cu+1.67+ atoms. In the CuP4S4I ribbon, Cu+1.67+ is bonded to one P+1.50+ and three equivalent I1- atoms to form distorted corner-sharing CuPI3 tetrahedra. The Cu–P bond length is 2.21 Å. There are two shorter (2.63 Å) and one longer (2.65 Å) Cu–I bond lengths. There are three inequivalent P+1.50+ sites. In the first P+1.50+ site, P+1.50+ is bonded in a distorted water-like geometry to two S2- atoms. There are one shorter (2.12 Å) and one longer (2.14 Å) P–S bond lengths. In the second P+1.50+ site, P+1.50+ is bonded in a single-bond geometry to one S2- atom. The P–S bond length is 2.07 Å. In the third P+1.50+ site, P+1.50+ is bonded in a distorted trigonal non-coplanar geometry to one Cu+1.67+ and three S2- atoms. There are two shorter (2.13 Å) and one longer (2.15 Å) P–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two P+1.50+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to two P+1.50+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two equivalent P+1.50+ atoms. I1- is bonded in a trigonal non-coplanar geometry to three equivalent Cu+1.67+ atoms.
DOI: 10.17188/1273096
title: Materials Data on Mn3Si(O2F)2 (SG:62) 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: 10.17188/1273097
title: Materials Data on Na4Th(MoO4)4 (SG:88) 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: 10.17188/1273098
title: Materials Data on La2CrO6 (SG:15) 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: 10.17188/1273099
title: Materials Data on K2Ni(NO3)4 (SG:9) 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: 10.17188/1273100
title: Materials Data on NaLaMgWO6 (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: 10.17188/1273101
title: Materials Data on Li3AlMo2(AsO7)2 (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: 10.17188/1273102
title: Materials Data on BaVSi2O7 (SG:87) 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: 10.17188/1273103
title: Materials Data on BaCaVP2O9 (SG:14) 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: 10.17188/1273104
title: Materials Data on CaMnB2O5 (SG:14) 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: 10.17188/1273105
title: Materials Data on NaV(GeO3)2 (SG:15) 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: 10.17188/1273106
title: Materials Data on NaFe3(PO4)3 (SG:15) 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: 10.17188/1273107
title: Materials Data on CrHg3O5 (SG:29) 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: 10.17188/1273108
title: Materials Data on Cs2Cr(NO3)5 (SG:154) 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: 10.17188/1273109
title: Materials Data on KMn(SeO4)2 (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: 10.17188/1273110
title: Materials Data on Ba2V3BiO11 (SG:14) 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: 10.17188/1273111
title: Materials Data on Pr2Mo4O15 (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: 10.17188/1273112
title: Materials Data on Fe3(P2O7)2 (SG:62) 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: 10.17188/1273113
title: Materials Data on Na2HoMoPO8 (SG:73) 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: 10.17188/1273114
title: Materials Data on Mn3(PO4)2 (SG:14) 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: 10.17188/1273115
title: Materials Data on Ba2V2ZnO8 (SG:14) 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: 10.5281/zenodo.4480052
title: qdgc Somalia

description: QDGC tables delivered in geopackage file<br> - - - - - - - - - - - - - - - - - - - - - -<br> QDGC represents a way of making (almost) equal area squares covering a specific area to represent specific qualities of the area covered. The squares themselves are based on the degree squares covering earth. Around the equator we have 360 longitudinal lines , and from the north to the south pole we have 180 latitudinal lines. Together this gives us 64800 segments or tiles covering earth.<br> <br> <br> Within each geopackage file you will find a number of tables with these names:<br> -tbl_qdgc_01<br> -tbl_qdgc_02<br> -tbl_qdgc_03<br> -tbl_qdgc_04<br> -tbl_qdgc_05<br> -etc<br> <br> <br> The attributes for each table are:<br> qdgc Unique Quarter Degree Grid Cell reference string<br> area_reference Country<br> level_qdgc QDGC level<br> cellsize degrees decimal degree for the longitudal and latitudal length of the cell<br> lon_center Longitude center of the cell<br> lat_center Latitudal center of the cell<br> area_km2 Calculated area for the cell<br> geom Geometry<br> <br> <br> Metadata<br> --------<br> Geodata GCS_WGS_1984<br> Datum: D_WGS_1984<br> Prime Meridian: 0<br> <br> <br> Areas are calculated with different versions of Albers Equal Area Conic using the PostGIS function st_area. For the African continent I have used Africa Albers Equal Area Conic which will look like this:<br> - st_area(st_transform(geom, 102022))/1000000)<br> <br> <br> Conditions<br> ----------<br> Delivered to the user as-is. No guarantees. If you find errors, please tell me and I will try to fix it. Suggestions for improvements can be addressed to the github repository: https://github.com/ragnvald/qdgc<br> <br> <br> Thankyou<br> --------<br> The work has over the years been supported and received advice and moral support from many organisations and stakeholders. Here are some of them:<br> - Tanzania Wildlife Research Institute<br> - Dept of Biology, NTNU, Norway<br> - Norwegian Environment Agency<br> - Eivin Røskaft, Steven Prager, Howard Frederick, Julian Blanc, Honori Maliti, Paul Ramsey<br> <br> <br> References<br> ----------<br> * http://en.wikipedia.org/wiki/QDGC<br> * http://www.mindland.com/wp/projects/quarter-degree-grid-cells/about-qdgc/<br> * http://en.wikipedia.org/wiki/Lambert_azimuthal_equal-area_projection<br> * http://www.safe.com
description: Added Economical Exclusive Zones (EEZ) to the calculation. Also includes the disputed area between Kenya and Somalia. Makes the grid area bigger. Decompressed size 2.5 GB.
DOI: 10.17188/1273116
title: Materials Data on DyMoClO4 (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