cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1723855
title: Materials Data on Ni2P2(SeS)3 by Materials Project

description: Ni2P2(SeS)3 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one Ni2P2(SeS)3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded to three Se2- and three S2- atoms to form edge-sharing NiSe3S3 octahedra. There are two shorter (2.53 Å) and one longer (2.55 Å) Ni–Se bond lengths. There are two shorter (2.45 Å) and one longer (2.47 Å) Ni–S bond lengths. In the second Ni1+ site, Ni1+ is bonded to three Se2- and three S2- atoms to form edge-sharing NiSe3S3 octahedra. There are one shorter (2.55 Å) and two longer (2.56 Å) Ni–Se bond lengths. There are two shorter (2.42 Å) and one longer (2.44 Å) Ni–S bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a trigonal non-coplanar geometry to one Se2- and two S2- atoms. The P–Se bond length is 2.24 Å. Both P–S bond lengths are 2.06 Å. In the second P5+ site, P5+ is bonded in a trigonal planar geometry to two Se2- and one S2- atom. There are one shorter (2.23 Å) and one longer (2.24 Å) P–Se bond lengths. The P–S bond length is 2.06 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Ni1+ and one P5+ atom. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two Ni1+ and one P5+ atom. In the third Se2- site, Se2- is bonded in a 3-coordinate geometry to two Ni1+ and one P5+ atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ni1+ and one P5+ atom. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ni1+ and one P5+ atom. In the third S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two Ni1+ and one P5+ atom.
DOI: 10.17188/1723856
title: Materials Data on LiSb(MoO4)2 by Materials Project

description: LiSbMo2O8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four equivalent LiO6 octahedra, corners with four equivalent MoO6 octahedra, and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–59°. There are two shorter (2.13 Å) and four longer (2.20 Å) Li–O bond lengths. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent MoO6 octahedra, and an edgeedge with one LiO6 octahedra. The corner-sharing octahedra tilt angles range from 42–53°. There are a spread of Mo–O bond distances ranging from 1.76–2.23 Å. Sb3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.23 Å) Sb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+ and two equivalent Mo6+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mo6+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two equivalent Sb3+ atoms.
DOI: 10.17188/1723858
title: Materials Data on Li3Co3SbO8 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: 10.17188/1723859
title: Materials Data on KLa(SeO4)2 by Materials Project

description: KLa(SeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.39 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.52–2.81 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.71 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.71 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two equivalent La3+, and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+, one La3+, and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one La3+, and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one La3+, and one Se6+ atom.
DOI: 10.17188/1723860
title: Materials Data on NiH20PdC4(NO3)4 by Materials Project

description: PdN4H12NiH4(C2O5)2(H2O)2 crystallizes in the orthorhombic I222 space group. The structure is zero-dimensional and consists of four water molecules, two NiH4(C2O5)2 clusters, and two PdN4H12 clusters. In each NiH4(C2O5)2 cluster, Ni2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (2.06 Å) and four longer (2.08 Å) Ni–O bond lengths. C+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ni2+ and one C+2.50+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ni2+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one C+2.50+ atom. In each PdN4H12 cluster, Pd4+ is bonded in a square co-planar geometry to four equivalent N3- atoms. All Pd–N bond lengths are 2.07 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Pd4+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.
DOI: 10.17188/1723861
title: Materials Data on Cs2TbCuCl6 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: 10.17188/1723862
title: Materials Data on Li4Mn2Fe3Cu3O16 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: 10.17188/1723863
title: Materials Data on Sc(CuSe)3 by Materials Project

description: Sc(CuSe)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent Se2- atoms to form ScSe6 octahedra that share corners with twelve equivalent CuSe4 tetrahedra, edges with three equivalent ScSe6 octahedra, and edges with six equivalent CuSe4 tetrahedra. All Sc–Se bond lengths are 2.73 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent ScSe6 octahedra, corners with six equivalent CuSe4 tetrahedra, edges with two equivalent ScSe6 octahedra, and edges with three equivalent CuSe4 tetrahedra. The corner-sharing octahedra tilt angles range from 11–60°. There are a spread of Cu–Se bond distances ranging from 2.40–2.50 Å. Se2- is bonded to two equivalent Sc3+ and four equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeSc2Cu4 octahedra. The corner-sharing octahedra tilt angles range from 2–95°.
DOI: 10.17188/1723866
title: Materials Data on MnSeO5 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: 10.17188/1723868
title: Materials Data on Na2Cu(NO3)4 by Materials Project

description: Na2Cu(NO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.38–2.56 Å. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.98 Å) and two longer (2.01 Å) Cu–O bond length. There are two inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.31 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.25 Å) and one longer (1.31 Å) N–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Na1+ and one N5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Cu2+, and one N5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted water-like geometry to one Cu2+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one N5+ atom.
DOI: 10.17188/1723869
title: Materials Data on CsSbH4O5 by Materials Project

description: CsSbH4O5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cs–O bond distances ranging from 3.06–3.23 Å. Sb5+ is bonded to six O2- atoms to form edge-sharing SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 2.00–2.05 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 0.98 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 1.00 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Cs1+ and two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Sb5+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Cs1+, one Sb5+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Cs1+, one Sb5+, and one H1+ atom.
DOI: 10.17188/1723870
title: Materials Data on MgV4O10 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: 10.17188/1723871
title: Materials Data on BaMnPClO4F by Materials Project

description: BaMnPO4ClF crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to four O2-, three equivalent Cl1-, and three equivalent F1- atoms. There are a spread of Ba–O bond distances ranging from 2.86–2.93 Å. There are a spread of Ba–Cl bond distances ranging from 3.20–3.28 Å. There are a spread of Ba–F bond distances ranging from 2.76–2.81 Å. Mn3+ is bonded to four O2-, one Cl1-, and one F1- atom to form distorted MnClO4F octahedra that share corners with four equivalent PO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.93–1.99 Å. The Mn–Cl bond length is 2.67 Å. The Mn–F bond length is 2.16 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent MnClO4F octahedra. The corner-sharing octahedra tilt angles range from 33–53°. All P–O bond lengths are 1.55 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+, one Mn3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ba2+, one Mn3+, and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ba2+, one Mn3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Ba2+, one Mn3+, and one P5+ atom. Cl1- is bonded in a 1-coordinate geometry to three equivalent Ba2+ and one Mn3+ atom. F1- is bonded in a 4-coordinate geometry to three equivalent Ba2+ and one Mn3+ atom.
DOI: 10.17188/1723872
title: Materials Data on SmScS3 by Materials Project

description: SmScS3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Sm3+ is bonded in a 6-coordinate geometry to eight S2- atoms. There are a spread of Sm–S bond distances ranging from 2.80–3.40 Å. Sc3+ is bonded to six S2- atoms to form corner-sharing ScS6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are a spread of Sc–S bond distances ranging from 2.54–2.60 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and two equivalent Sc3+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to three equivalent Sm3+ and two equivalent Sc3+ atoms. In the third S2- site, S2- is bonded to two equivalent Sm3+ and two equivalent Sc3+ atoms to form distorted corner-sharing SSm2Sc2 trigonal pyramids.
DOI: 10.17188/1723873
title: Materials Data on Tm2Co7 by Materials Project

description: Tm2Co7 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tm–Co bond distances ranging from 2.85–3.23 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Tm–Co bond distances ranging from 2.84–3.06 Å. In the third Tm site, Tm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tm–Co bond distances ranging from 2.85–3.23 Å. In the fourth Tm site, Tm is bonded in a 6-coordinate geometry to eighteen Co atoms. There are a spread of Tm–Co bond distances ranging from 2.85–3.23 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Tm and six equivalent Co atoms to form CoTm6Co6 cuboctahedra that share corners with twelve equivalent CoTm5Co7 cuboctahedra, edges with six equivalent CoTm6Co6 cuboctahedra, and faces with eighteen equivalent CoTm5Co7 cuboctahedra. All Co–Co bond lengths are 2.50 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tm and six Co atoms. There are three shorter (2.43 Å) and three longer (2.44 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tm and six Co atoms. There are three shorter (2.41 Å) and three longer (2.46 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to four Tm and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTm4Co8 cuboctahedra. There are two shorter (2.44 Å) and four longer (2.46 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded to four Tm and eight Co atoms to form a mixture of corner, edge, and face-sharing CoTm4Co8 cuboctahedra. Both Co–Co bond lengths are 2.44 Å. In the sixth Co site, Co is bonded to five Tm and seven Co atoms to form distorted CoTm5Co7 cuboctahedra that share corners with seventeen CoTm6Co6 cuboctahedra, edges with eight CoTm4Co8 cuboctahedra, and faces with fourteen CoTm6Co6 cuboctahedra. There are two shorter (2.46 Å) and two longer (2.47 Å) Co–Co bond lengths. In the seventh Co site, Co is bonded to four Tm and eight Co atoms to form CoTm4Co8 cuboctahedra that share corners with sixteen CoTm5Co7 cuboctahedra, edges with ten CoTm4Co8 cuboctahedra, and faces with ten CoTm4Co8 cuboctahedra. Both Co–Tm bond lengths are 3.09 Å. All Co–Co bond lengths are 2.46 Å.
DOI: 10.17188/1723874
title: Materials Data on CaLaFeAgO6 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: 10.17188/1723875
title: Materials Data on Li11V12(CuO4)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: 10.17188/1723876
title: Materials Data on PmNdMg2 by Materials Project

description: Mg2PmNd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Nd atoms. All Mg–Pm bond lengths are 3.36 Å. All Mg–Nd bond lengths are 3.36 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Nd is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.15468/dl.eht68g
title: Occurrence Download

description: A dataset containing 680 species occurrences available in GBIF matching the query:
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 The dataset includes 680 records from 32 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090833-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.48597/2net-qrq3
title: Measurement of Heavy metals at Verneuil

description: Measurement of Heavy metals at Verneuil
DOI: 10.48597/3yxn-x2n5
title: Measurement of Heavy metals at Donon

description: Measurement of Heavy metals at Donon
DOI: 10.48597/7x3m-buu7
title: Measurement of Heavy metals at Revin

description: Measurement of Heavy metals at Revin
DOI: 10.48597/hv4r-3wxs
title: Measurement of Heavy metals at Peyrusse Vieille

description: Measurement of Heavy metals at Peyrusse Vieille
DOI: 10.48597/zfdp-bpd5
title: Measurement of Heavy metals at Saint-Nazaire-le-Désert

description: Measurement of Heavy metals at Saint-Nazaire-le-Désert
DOI: 10.48597/zwtd-entf
title: Measurement of Heavy metals at Kergoff

description: Measurement of Heavy metals at Kergoff
DOI: 10.15468/dl.4s6dj7
title: Occurrence Download

description: A dataset containing 1883 species occurrences available in GBIF matching the query:
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 The dataset includes 1883 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090838-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.42pneb
title: Occurrence Download

description: A dataset containing 1807 species occurrences available in GBIF matching the query:
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 The dataset includes 1807 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090845-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mxwy7x
title: Occurrence Download

description: A dataset containing 39035 species occurrences available in GBIF matching the query:
{
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 "is Dasypus novemcinctus Linnaeus, 1758"
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 The dataset includes 39035 records from 487 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090840-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7f8769
title: Occurrence Download

description: A dataset containing 2757 species occurrences available in GBIF matching the query:
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 The dataset includes 2757 records from 39 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090843-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.m4w579
title: Occurrence Download

description: A dataset containing 2413 species occurrences available in GBIF matching the query:
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 The dataset includes 2413 records from 32 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090841-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.v4qzke
title: Occurrence Download

description: A dataset containing 93761 species occurrences available in GBIF matching the query:
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 The dataset includes 93761 records from 138 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090763-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.