cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1298759
title: Materials Data on YFeGe2O7 by Materials Project

description: YFeGe2O7 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Y3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Y–O bond distances ranging from 2.23–2.45 Å. Fe3+ is bonded to six O2- atoms to form distorted FeO6 octahedra that share corners with four GeO4 tetrahedra and an edgeedge with one FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.98–2.19 Å. There are four inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of Ge–O bond distances ranging from 1.78–1.80 Å. In the second Ge4+ site, Ge4+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Ge–O bond distances ranging from 1.74–2.35 Å. In the third Ge4+ site, Ge4+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Ge–O bond distances ranging from 1.75–2.34 Å. In the fourth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with four equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of Ge–O bond distances ranging from 1.78–1.80 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+, one Fe3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Y3+, one Fe3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Y3+, one Fe3+, and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and two Ge4+ atoms. In the seventh O2- site, O2- is bonded in a bent 150 degrees geometry to two Ge4+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two Ge4+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Y3+, one Fe3+, and one Ge4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Ge4+ atom.
DOI: 10.17188/1298760
title: Materials Data on LiCo2(PO4)2 (SG:7) 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: 10.17188/1298761
title: Materials Data on Li5Fe6(BO3)6 (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: 10.17188/1298762
title: Materials Data on Li10Si2NiO10 (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: 10.17188/1298763
title: Materials Data on Li4TiMn4(Fe2O9)2 (SG:26) 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: 10.17188/1298765
title: Materials Data on Co15O28 (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: 10.17188/1298766
title: Materials Data on Li13Ni15O28 (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: 10.5281/zenodo.4481471
title: Experimental Data for the Paper 'Rotation-Aware Representation Learning for Remote Sensing Image Retrieval'

description: <strong>Experimental Data for the Paper 'Rotation-Aware Representation Learning for Remote Sensing Image Retrieval'</strong> In this repository, we provide the implementation of the algorithms developed in the paper 'Rotation-Aware Representation Learning for Remote Sensing Image Retrieval' along with the experimental results.<br> The goal is to provide the elements needed to validate and reproduce our research work as well as all the tools needed to reach the same conclusions as we did.<br> The licences valid for the elements of this repository are discussed under point "2. Licenses" below. <em><strong>1. Structure</strong></em> The repository contains the following items: "data" - the results from our experiments "lib" - some external functions used in the experiments "make_data" - the training and test data "fmt-vgg.py" - the FMT-RAN model "stn.py" - the STN module of ST-RAN "st_ran.py" - the ST-RAN model "README" - this text here. "LICENSE" - the MIT License <strong><em>2. License</em></strong> The following licenses apply for the files and folders: The files "stn.py" and "spatial_transformer_tutorial.py" in the folder "lib" are from the GitHub repository https://github.com/GHamrouni/stn-tuto and therefore are under the copyright of its repository owner Ghassen Hamrouni. All other files are under the MIT License. The MIT License is included here as file "LICENSE". <em><strong>3. Contact</strong></em> 1. Dr. Zhize WU, wuzz@hfuu.edu.cn<br> 2. Dr. Thomas WEISE, tweise@hfuu.edu.cn, tweise@ustc.edu.cn Institute of Applied Optimization, <br> School of Artificial Intelligence and Big Data, <br> Hefei University, South Campus 2, Jinxiu Dadao 99, <br> Hefei Economic and Technological Development Area, <br> Shushan District, Hefei 230601, Anhui, China
DOI: 10.17188/1298767
title: Materials Data on Li5(CoO2)8 (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: 10.5281/zenodo.4481470
title: Experimental Data for the Paper 'Rotation-Aware Representation Learning for Remote Sensing Image Retrieval'

description: <strong>Experimental Data for the Paper 'Rotation-Aware Representation Learning for Remote Sensing Image Retrieval'</strong> In this repository, we provide the implementation of the algorithms developed in the paper 'Rotation-Aware Representation Learning for Remote Sensing Image Retrieval' along with the experimental results.<br> The goal is to provide the elements needed to validate and reproduce our research work as well as all the tools needed to reach the same conclusions as we did.<br> The licences valid for the elements of this repository are discussed under point "2. Licenses" below. <em><strong>1. Structure</strong></em> The repository contains the following items: "data" - the results from our experiments "lib" - some external functions used in the experiments "make_data" - the training and test data "fmt-vgg.py" - the FMT-RAN model "stn.py" - the STN module of ST-RAN "st_ran.py" - the ST-RAN model "README" - this text here. "LICENSE" - the MIT License <strong><em>2. License</em></strong> The following licenses apply for the files and folders: The files "stn.py" and "spatial_transformer_tutorial.py" in the folder "lib" are from the GitHub repository https://github.com/GHamrouni/stn-tuto and therefore are under the copyright of its repository owner Ghassen Hamrouni. All other files are under the MIT License. The MIT License is included here as file "LICENSE". <em><strong>3. Contact</strong></em> 1. Dr. Zhize WU, wuzz@hfuu.edu.cn<br> 2. Dr. Thomas WEISE, tweise@hfuu.edu.cn, tweise@ustc.edu.cn Institute of Applied Optimization, <br> School of Artificial Intelligence and Big Data, <br> Hefei University, South Campus 2, Jinxiu Dadao 99, <br> Hefei Economic and Technological Development Area, <br> Shushan District, Hefei 230601, Anhui, China
DOI: 10.17188/1298768
title: Materials Data on P5(WO6)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: 10.17188/1298769
title: Materials Data on ZrFe(PO4)3 (SG:33) 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: 10.17188/1298770
title: Materials Data on Li5Mn6(BO3)6 (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: 10.17188/1298771
title: Materials Data on Li7Mn8O20 (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: 10.17188/1298772
title: Materials Data on Li4Ti4Mn(Co2O9)2 (SG:55) 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: 10.17188/1298773
title: Materials Data on Li4Ti4MnCr4O18 (SG:55) 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: 10.17188/1298774
title: Materials Data on Li4Ti4Mn(Fe2O9)2 (SG:55) 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: 10.17188/1298775
title: Materials Data on Li4Ti2Mn3(Fe2O9)2 (SG:55) 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: 10.17188/1298776
title: Materials Data on Li11Fe12(BO3)12 (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: 10.17188/1298777
title: Materials Data on Li11Fe12(BO3)12 (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: 10.17188/1298778
title: Materials Data on Li4Ti4Mn4NiO18 (SG:55) 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: 10.17188/1298781
title: Materials Data on Li4Ti4V4NiO18 (SG:55) 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: 10.17188/1298782
title: Materials Data on Li4Ti4V(Fe2O9)2 (SG:55) 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: 10.17188/1298793
title: Materials Data on LiLa3MnO7 by Materials Project

description: La3LiMnO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with five equivalent MnO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–14°. There are a spread of Li–O bond distances ranging from 1.97–2.31 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.47–3.09 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.31–3.02 Å. In the third La3+ site, La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with four equivalent LaO12 cuboctahedra, faces with four equivalent LaO12 cuboctahedra, faces with four equivalent LiO6 octahedra, and faces with four equivalent MnO6 octahedra. There are a spread of La–O bond distances ranging from 2.56–2.92 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five equivalent LiO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 2–14°. There are a spread of Mn–O bond distances ranging from 1.86–2.11 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, four La3+, and one Mn4+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Li1+, four La3+, and one Mn4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, four La3+, and one Mn4+ atom. In the fourth O2- site, O2- is bonded to one Li1+, four La3+, and one Mn4+ atom to form distorted edge-sharing OLiLa4Mn octahedra. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, four equivalent La3+, and one Mn4+ atom. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Mn4+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to one Li1+ and five La3+ atoms.
DOI: 10.17188/1298795
title: Materials Data on Y2Ge2O7 by Materials Project

description: Y2Ge2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Y3+ is bonded to six O2- atoms to form distorted YO6 pentagonal pyramids that share corners with six equivalent GeO4 tetrahedra and edges with three equivalent YO6 pentagonal pyramids. There are a spread of Y–O bond distances ranging from 2.26–2.33 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with six equivalent YO6 pentagonal pyramids and a cornercorner with one GeO4 tetrahedra. There is one shorter (1.76 Å) and three longer (1.77 Å) Ge–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Ge4+ atoms.
DOI: 10.17188/1298805
title: Materials Data on Y4Ga2O9 by Materials Project

description: Y4Ga2O9 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.61 Å. In the second Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.73 Å. Ga3+ is bonded to five O2- atoms to form corner-sharing GaO5 trigonal bipyramids. There are a spread of Ga–O bond distances ranging from 1.91–2.13 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two Y3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with eight OY3Ga tetrahedra, corners with four equivalent OY4Ga trigonal bipyramids, edges with two equivalent OY3Ga tetrahedra, and edges with two equivalent OY4Ga trigonal bipyramids. In the third O2- site, O2- is bonded to four Y3+ and one Ga3+ atom to form distorted OY4Ga trigonal bipyramids that share corners with ten OY4 tetrahedra, edges with four OY4 tetrahedra, and edges with two equivalent OY4Ga trigonal bipyramids. In the fourth O2- site, O2- is bonded to three Y3+ and one Ga3+ atom to form OY3Ga tetrahedra that share corners with four OY4 tetrahedra, corners with five equivalent OY4Ga trigonal bipyramids, edges with three OY4 tetrahedra, and an edgeedge with one OY4Ga trigonal bipyramid. In the fifth O2- site, O2- is bonded to three Y3+ and one Ga3+ atom to form distorted OY3Ga tetrahedra that share corners with eight OY4 tetrahedra, corners with three equivalent OY4Ga trigonal bipyramids, an edgeedge with one OY3Ga tetrahedra, and edges with two equivalent OY4Ga trigonal bipyramids.
DOI: 10.17188/1298854
title: Materials Data on Na4V2C4SO16 by Materials Project

description: Na4V2C4SO16 crystallizes in the orthorhombic F222 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.30–2.53 Å. In the second Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.41–2.54 Å. In the third Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. All Na–O bond lengths are 2.47 Å. In the fourth Na1+ site, Na1+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.49 Å. V5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 2.03–2.09 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are two inequivalent S2+ sites. In the first S2+ site, S2+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.50 Å. In the second S2+ site, S2+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All S–O bond lengths are 1.50 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one V5+, and one C4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one V5+, and one C4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one V5+, and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Na1+, one V5+, and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted L-shaped geometry to one Na1+ and one S2+ atom. In the sixth O2- site, O2- is bonded to three Na1+ and one S2+ atom to form distorted edge-sharing ONa3S trigonal pyramids. In the seventh O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two Na1+, one V5+, and one C4+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one V5+, and one C4+ atom.
DOI: 10.17188/1298855
title: Materials Data on LiMn(PO3)4 by Materials Project

description: LiMn(PO3)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There is two shorter (1.87 Å) and two longer (2.12 Å) Li–O bond length. Mn3+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.94–2.25 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one MnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of P–O bond distances ranging from 1.48–1.61 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent MnO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–41°. There are a spread of P–O bond distances ranging from 1.48–1.61 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Li1+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Mn3+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Mn3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Mn3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two P5+ atoms.