cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.25989/7vx9-kc36
title: Materials Experiment and Analysis Database: Sample imaging and alignment measurements containing 2 files performed on plate containing Bi,Mn,Gd,Sm,Co annealed at 570.0C to add inert on 2014-04-03 from Run 20140403.135910

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description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/7vyh-fn24
title: Materials Experiment and Analysis Database: Material library with Bi,Mn,Sm,Fe deposited by INKJET on 2015-06-20 from Plate 00028819 annealed at 615.0C to add O on 2015-06-20

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description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/7vz1-hv35
title: Materials Experiment and Analysis Database: Electrochemistry measurements containing 12 files performed on plate containing Ni,Fe,Co,Ce,Co annealed at 350.0C to add O on 2013-08-08 from Run 20130808.103710

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description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/7w1t-1g87
title: Materials Experiment and Analysis Database: Electrochemistry measurements containing 105 files performed on plate containing Ni,La,Co,Ce,Co annealed at 350.0C to add O on 2015-05-07 from Run 20150507.164405

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description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/7w72-xr35
title: Materials Experiment and Analysis Database: Electrochemistry measurements containing 2 files performed on plate containing Cu,Ag,V,Ni annealed at 0.0C to add O on 2015-02-10 from Run 20150210.154149

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description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/7w7q-4560
title: Materials Experiment and Analysis Database: Electrochemistry measurements collected from 1 run(s) performed on plate(s) containing Ti,V,Ar annealed at 610.0C to add O on 2016-03-15 from Experiment 20160314.174643

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description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/7w95-rc76
title: Materials Experiment and Analysis Database: Electrochemistry measurements containing 3815 files performed on plate containing Pb,Sr,Ba,Ga annealed at 615.0C to add O on 2015-09-28 from Run 20150928.154320

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description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/7wa5-g158
title: Materials Experiment and Analysis Database: Sample imaging measurements collected from 2 run(s) performed on plate(s) containing Bi,Mn,Y,Eu annealed at 605.0C to add O on 2014-04-02 from Experiment 20140402.114136

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description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/7wag-rj76
title: Materials Experiment and Analysis Database: Inkjet chemical deposition measurements collected from 1 run(s) performed on plate(s) containing Cu,Mn,Ta annealed at 550.0C to add O on 2016-12-13 from Experiment 20161212.162100

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description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.25989/7wft-m328
title: Materials Experiment and Analysis Database: Optical spectroscopy measurements collected from 1 run(s) performed on plate(s) containing Nb,La,Ar,O,N annealed at 950.0C to add inert on 2014-05-09 from Experiment 20140508.172941

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description: This record is a component of the Materials Experiment and
Analysis Database (MEAD). It contains raw data and metadata from millions 
of materials synthesis and characterization experiments, as well as the 
analysis and distillation of that data into property and performance 
metrics. The unprecedented quantity and diversity of experimental data 
are searchable by experiment and analysis attributes generated by both 
researchers and data processing software.
DOI: 10.17188/1708506
title: Materials Data on Zr2Ti3(PbO3)5 by Materials Project

description: Zr2Ti3(PbO3)5 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one Zr2Ti3(PbO3)5 sheet oriented in the (2, 0, 1) direction. there are two inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.91 Å) and one longer (1.92 Å) Zr–O bond length. In the second Zr4+ site, Zr4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Zr–O bond lengths are 1.91 Å. There are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Ti–O bond lengths are 1.77 Å. In the second Ti4+ site, Ti4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Ti–O bond lengths are 1.77 Å. In the third Ti4+ site, Ti4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. All Ti–O bond lengths are 1.77 Å. There are five inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.12 Å) and one longer (2.14 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (2.12 Å) and one longer (2.15 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.16 Å) and two longer (2.18 Å) Pb–O bond lengths. In the fourth Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.16 Å) and two longer (2.18 Å) Pb–O bond lengths. In the fifth Pb2+ site, Pb2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.14 Å) and two longer (2.18 Å) Pb–O bond lengths. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Zr4+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Zr4+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to one Ti4+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one Zr4+ and one Pb2+ atom. In the eighth O2- site, O2- is bonded in a distorted linear geometry to one Zr4+ and one Pb2+ atom. In the ninth O2- site, O2- is bonded in a distorted linear geometry to one Ti4+ and one Pb2+ atom. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ti4+ and one Pb2+ atom.
DOI: 10.17188/1708508
title: Materials Data on Nb11S12 by Materials Project

description: (Nb)3(NbS3)2(NbS)6 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of six niobium molecules; four NbS sheets oriented in the (0, 0, 1) direction; and two NbS3 sheets oriented in the (0, 0, 1) direction. In each NbS sheet, there are three inequivalent Nb+2.18+ sites. In the first Nb+2.18+ site, Nb+2.18+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are one shorter (2.44 Å) and two longer (2.45 Å) Nb–S bond lengths. In the second Nb+2.18+ site, Nb+2.18+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.45 Å) and one longer (2.46 Å) Nb–S bond lengths. In the third Nb+2.18+ site, Nb+2.18+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.44 Å) and one longer (2.45 Å) Nb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted T-shaped geometry to three Nb+2.18+ atoms. In the second S2- site, S2- is bonded in a distorted T-shaped geometry to three Nb+2.18+ atoms. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to three Nb+2.18+ atoms. In each NbS3 sheet, there are two inequivalent Nb+2.18+ sites. In the first Nb+2.18+ site, Nb+2.18+ is bonded to six S2- atoms to form edge-sharing NbS6 octahedra. There are a spread of Nb–S bond distances ranging from 2.42–2.46 Å. In the second Nb+2.18+ site, Nb+2.18+ is bonded to six S2- atoms to form edge-sharing NbS6 octahedra. There are a spread of Nb–S bond distances ranging from 2.42–2.46 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to two Nb+2.18+ atoms. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to two Nb+2.18+ atoms. In the third S2- site, S2- is bonded in an L-shaped geometry to two Nb+2.18+ atoms. In the fourth S2- site, S2- is bonded in an L-shaped geometry to two Nb+2.18+ atoms. In the fifth S2- site, S2- is bonded in a distorted L-shaped geometry to two Nb+2.18+ atoms. In the sixth S2- site, S2- is bonded in an L-shaped geometry to two Nb+2.18+ atoms.
DOI: 10.17188/1708509
title: Materials Data on KZn4SbO7 by Materials Project

description: KZn4SbO7 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. K1+ is bonded to twelve O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, edges with twelve ZnO4 tetrahedra, and faces with four equivalent SbO6 octahedra. There are three shorter (3.09 Å) and nine longer (3.12 Å) K–O bond lengths. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with three equivalent SbO6 octahedra, corners with six equivalent ZnO4 tetrahedra, and edges with three equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 52°. There is one shorter (1.97 Å) and three longer (2.02 Å) Zn–O bond length. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with three equivalent SbO6 octahedra, corners with six ZnO4 tetrahedra, and edges with three equivalent KO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 49–53°. There is one shorter (1.94 Å) and three longer (1.98 Å) Zn–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with twelve ZnO4 tetrahedra and faces with four equivalent KO12 cuboctahedra. All Sb–O bond lengths are 2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a tetrahedral geometry to four Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent K1+, two Zn2+, and one Sb5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent K1+, two equivalent Zn2+, and one Sb5+ atom.
DOI: 10.17188/1708511
title: Materials Data on Co5BiO12 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: 10.17188/1708512
title: Materials Data on SrGdCuSe3 by Materials Project

description: SrCuGdSe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded to seven Se2- atoms to form distorted SrSe7 pentagonal bipyramids that share corners with six equivalent GdSe6 octahedra, corners with three equivalent CuSe4 tetrahedra, edges with four equivalent GdSe6 octahedra, edges with two equivalent SrSe7 pentagonal bipyramids, edges with three equivalent CuSe4 tetrahedra, and faces with two equivalent SrSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 23–70°. There are a spread of Sr–Se bond distances ranging from 3.14–3.44 Å. Gd3+ is bonded to six Se2- atoms to form GdSe6 octahedra that share corners with two equivalent GdSe6 octahedra, corners with six equivalent SrSe7 pentagonal bipyramids, edges with two equivalent GdSe6 octahedra, edges with four equivalent SrSe7 pentagonal bipyramids, and edges with four equivalent CuSe4 tetrahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Gd–Se bond distances ranging from 2.90–2.92 Å. Cu1+ is bonded to four Se2- atoms to form CuSe4 tetrahedra that share corners with three equivalent SrSe7 pentagonal bipyramids, corners with two equivalent CuSe4 tetrahedra, edges with four equivalent GdSe6 octahedra, and edges with three equivalent SrSe7 pentagonal bipyramids. There are a spread of Cu–Se bond distances ranging from 2.47–2.53 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Sr2+, two equivalent Gd3+, and two equivalent Cu1+ atoms to form distorted SeSr2Gd2Cu2 octahedra that share corners with two equivalent SeSr2Gd2Cu2 octahedra, corners with four equivalent SeSr2Gd2Cu square pyramids, edges with two equivalent SeSr2Gd2Cu2 octahedra, and edges with three equivalent SeSr2Gd2Cu square pyramids. The corner-sharing octahedral tilt angles are 3°. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to three equivalent Sr2+, two equivalent Gd3+, and one Cu1+ atom. In the third Se2- site, Se2- is bonded to two equivalent Sr2+, two equivalent Gd3+, and one Cu1+ atom to form distorted SeSr2Gd2Cu square pyramids that share corners with four equivalent SeSr2Gd2Cu2 octahedra, edges with three equivalent SeSr2Gd2Cu2 octahedra, and edges with two equivalent SeSr2Gd2Cu square pyramids. The corner-sharing octahedra tilt angles range from 46–88°.
DOI: 10.17188/1708513
title: Materials Data on BaNa2Sn by Materials Project

description: Na2BaSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Sn atoms. All Na–Ba bond lengths are 3.46 Å. All Na–Sn bond lengths are 3.46 Å. Ba is bonded in a 8-coordinate geometry to eight equivalent Na and six equivalent Sn atoms. All Ba–Sn bond lengths are 3.99 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Na and six equivalent Ba atoms.
DOI: 10.17188/1708514
title: Materials Data on MgSb by Materials Project

description: MgSb crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 7-coordinate geometry to seven Sb2- atoms. There are a spread of Mg–Sb bond distances ranging from 2.99–3.21 Å. In the second Mg2+ site, Mg2+ is bonded to six Sb2- atoms to form distorted MgSb6 pentagonal pyramids that share corners with four equivalent MgSb7 hexagonal pyramids, corners with four equivalent MgSb6 pentagonal pyramids, edges with three equivalent MgSb7 hexagonal pyramids, edges with two equivalent MgSb6 pentagonal pyramids, and a faceface with one MgSb7 hexagonal pyramid. There are a spread of Mg–Sb bond distances ranging from 3.01–3.18 Å. In the third Mg2+ site, Mg2+ is bonded to seven Sb2- atoms to form distorted MgSb7 hexagonal pyramids that share corners with four equivalent MgSb7 hexagonal pyramids, corners with four equivalent MgSb6 pentagonal pyramids, edges with three equivalent MgSb6 pentagonal pyramids, faces with two equivalent MgSb7 hexagonal pyramids, and a faceface with one MgSb6 pentagonal pyramid. There are a spread of Mg–Sb bond distances ranging from 3.10–3.17 Å. There are three inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 6-coordinate geometry to six Mg2+ atoms. In the second Sb2- site, Sb2- is bonded in a 7-coordinate geometry to seven Mg2+ atoms. In the third Sb2- site, Sb2- is bonded in a 7-coordinate geometry to seven Mg2+ atoms.