cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15156/bio/sh1831226.08fu
title: SH1831226.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh1831227.08fu
title: SH1831227.08FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh463129.07fu
title: SH463129.07FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh463130.07fu
title: SH463130.07FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh463131.07fu
title: SH463131.07FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/1265829
title: UNITE mothur release for Fungi 2

description: Three sets of mothur files are released, corresponding to the SHs resulting from clustering at the 97% and 99% threshold levels. The third set of files is the result of a dynamic use of clustering thresholds, such that some SHs are delimited at the 97% level, some at the 97.5% level, some at the 98% level, and so on; these choices were made manually by experts of those particular lineages of fungi. The syntax is the same throughout the three sets of files. Includes global and 97% singletons.
DOI: 10.17188/1745923
title: Materials Data on K2TbAgCl6 by Materials Project

description: K2TbAgCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with twelve equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, faces with four equivalent TbCl6 octahedra, and faces with four equivalent AgCl6 octahedra. All K–Cl bond lengths are 3.80 Å. Tb3+ is bonded to six equivalent Cl1- atoms to form TbCl6 octahedra that share corners with six equivalent AgCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tb–Cl bond lengths are 2.64 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent TbCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.73 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Tb3+, and one Ag1+ atom.
DOI: 10.17188/1745924
title: Materials Data on Cs2CrH2Cl5O 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: 10.17188/1745925
title: Materials Data on Na2TlGaF6 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: 10.17188/1745926
title: Materials Data on Cr2(SiO4)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: 10.17188/1745927
title: Materials Data on FeSi2Tc by Materials Project

description: TcFeSi2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TcFeSi2 ribbons oriented in the (1, 0, 0) direction. Tc3- is bonded in a linear geometry to two equivalent Si atoms. Both Tc–Si bond lengths are 2.31 Å. Fe3+ is bonded in a linear geometry to two equivalent Si atoms. Both Fe–Si bond lengths are 2.23 Å. Si is bonded in a linear geometry to one Tc3- and one Fe3+ atom.
DOI: 10.17188/1745928
title: Materials Data on SmCd11 by Materials Project

description: SmCd11 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twenty Cd atoms. There are a spread of Sm–Cd bond distances ranging from 3.54–3.86 Å. There are six inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to one Sm and nine Cd atoms. There are four shorter (2.99 Å) and five longer (3.14 Å) Cd–Cd bond lengths. In the second Cd site, Cd is bonded in a cuboctahedral geometry to twelve Cd atoms. All Cd–Cd bond lengths are 3.14 Å. In the third Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent Sm and six Cd atoms. All Cd–Cd bond lengths are 2.93 Å. In the fourth Cd site, Cd is bonded in a distorted q6 geometry to two equivalent Sm and eight Cd atoms. There are two shorter (2.92 Å) and four longer (2.99 Å) Cd–Cd bond lengths. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to one Sm and nine Cd atoms. All Cd–Cd bond lengths are 3.14 Å. In the sixth Cd site, Cd is bonded in a 10-coordinate geometry to one Sm and nine Cd atoms. The Cd–Cd bond length is 3.14 Å.
DOI: 10.17188/1745929
title: Materials Data on Rb2MoBr6 by Materials Project

description: Rb2MoBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent Br1- atoms to form RbBr12 cuboctahedra that share corners with twelve equivalent RbBr12 cuboctahedra, faces with six equivalent RbBr12 cuboctahedra, and faces with four equivalent MoBr6 octahedra. All Rb–Br bond lengths are 3.80 Å. Mo4+ is bonded to six equivalent Br1- atoms to form MoBr6 octahedra that share faces with eight equivalent RbBr12 cuboctahedra. All Mo–Br bond lengths are 2.57 Å. Br1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Mo4+ atom.
DOI: 10.17188/1745930
title: Materials Data on KRb2EuCl6 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: 10.17188/1745931
title: Materials Data on Cs3TlCl6 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: 10.17188/1745932
title: Materials Data on Cs2ZnH4 by Materials Project

description: Cs2ZnH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Cs–H bond distances ranging from 3.22–3.42 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Cs–H bond distances ranging from 3.08–3.37 Å. Zn2+ is bonded in a tetrahedral geometry to four H1- atoms. There is one shorter (1.67 Å) and three longer (1.68 Å) Zn–H bond length. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a distorted single-bond geometry to five Cs1+ and one Zn2+ atom. In the second H1- site, H1- is bonded in a distorted single-bond geometry to four Cs1+ and one Zn2+ atom. In the third H1- site, H1- is bonded in a distorted single-bond geometry to four Cs1+ and one Zn2+ atom.
DOI: 10.17188/1745933
title: Materials Data on Nb6HI11 by Materials Project

description: HNb6I11 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are six inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded to one H1- and five I1- atoms to form a mixture of distorted corner and face-sharing NbHI5 octahedra. The corner-sharing octahedra tilt angles range from 4–26°. The Nb–H bond length is 2.05 Å. There are a spread of Nb–I bond distances ranging from 2.85–2.99 Å. In the second Nb2+ site, Nb2+ is bonded to one H1- and five I1- atoms to form a mixture of distorted corner and face-sharing NbHI5 octahedra. The corner-sharing octahedra tilt angles range from 4–26°. The Nb–H bond length is 2.06 Å. There are a spread of Nb–I bond distances ranging from 2.87–2.99 Å. In the third Nb2+ site, Nb2+ is bonded to one H1- and five I1- atoms to form a mixture of distorted corner and face-sharing NbHI5 octahedra. The corner-sharing octahedra tilt angles range from 3–53°. The Nb–H bond length is 2.08 Å. There are a spread of Nb–I bond distances ranging from 2.87–3.03 Å. In the fourth Nb2+ site, Nb2+ is bonded to one H1- and five I1- atoms to form a mixture of distorted corner and face-sharing NbHI5 octahedra. The corner-sharing octahedra tilt angles range from 3–54°. The Nb–H bond length is 2.04 Å. There are a spread of Nb–I bond distances ranging from 2.85–2.99 Å. In the fifth Nb2+ site, Nb2+ is bonded to one H1- and five I1- atoms to form a mixture of distorted corner and face-sharing NbHI5 octahedra. The corner-sharing octahedra tilt angles range from 4–53°. The Nb–H bond length is 2.05 Å. There are a spread of Nb–I bond distances ranging from 2.86–2.99 Å. In the sixth Nb2+ site, Nb2+ is bonded to one H1- and five I1- atoms to form a mixture of distorted corner and face-sharing NbHI5 octahedra. The corner-sharing octahedra tilt angles range from 4–54°. The Nb–H bond length is 2.02 Å. There are a spread of Nb–I bond distances ranging from 2.88–2.95 Å. H1- is bonded in an octahedral geometry to six Nb2+ atoms. There are eleven inequivalent I1- sites. In the first I1- site, I1- is bonded in a 5-coordinate geometry to three Nb2+ atoms. In the second I1- site, I1- is bonded in a bent 120 degrees geometry to two Nb2+ atoms. In the third I1- site, I1- is bonded in a 4-coordinate geometry to three Nb2+ atoms. In the fourth I1- site, I1- is bonded in a bent 150 degrees geometry to two Nb2+ atoms. In the fifth I1- site, I1- is bonded in a 5-coordinate geometry to three Nb2+ atoms. In the sixth I1- site, I1- is bonded in a 12-coordinate geometry to three Nb2+ atoms. In the seventh I1- site, I1- is bonded in a bent 120 degrees geometry to two Nb2+ atoms. In the eighth I1- site, I1- is bonded in a 5-coordinate geometry to three Nb2+ atoms. In the ninth I1- site, I1- is bonded in a 4-coordinate geometry to three Nb2+ atoms. In the tenth I1- site, I1- is bonded in a 3-coordinate geometry to three Nb2+ atoms. In the eleventh I1- site, I1- is bonded in a 6-coordinate geometry to three Nb2+ atoms.
DOI: 10.17188/1745934
title: Materials Data on SrNiF4 by Materials Project

description: SrNiF4 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sr–F bond distances ranging from 2.48–2.96 Å. Ni2+ is bonded to six F1- atoms to form corner-sharing NiF6 octahedra. The corner-sharing octahedra tilt angles range from 6–41°. There are a spread of Ni–F bond distances ranging from 1.98–2.05 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Sr2+ and one Ni2+ atom. In the second F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ni2+ atoms. In the third F1- site, F1- is bonded in a distorted T-shaped geometry to one Sr2+ and two equivalent Ni2+ atoms. In the fourth F1- site, F1- is bonded in a 4-coordinate geometry to three equivalent Sr2+ and one Ni2+ atom.
DOI: 10.17188/1745935
title: Materials Data on LiMnB2O5 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: 10.17188/1745936
title: Materials Data on Tb13Zn58 by Materials Project

description: Tb13Zn58 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to fourteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 2.88–3.50 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to fifteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.03–3.32 Å. In the third Tb site, Tb is bonded in a 6-coordinate geometry to thirteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 2.97–3.23 Å. In the fourth Tb site, Tb is bonded in a 12-coordinate geometry to sixteen Zn atoms. There are a spread of Tb–Zn bond distances ranging from 3.02–3.22 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn is bonded in a body-centered cubic geometry to eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.53–2.65 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four Tb and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–3.00 Å. In the third Zn site, Zn is bonded in a 10-coordinate geometry to four Tb and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.61–2.69 Å. In the fourth Zn site, Zn is bonded to two equivalent Tb and ten Zn atoms to form face-sharing ZnTb2Zn10 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.67–2.73 Å. In the fifth Zn site, Zn is bonded in a 10-coordinate geometry to four Tb and six Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.58–2.75 Å. In the sixth Zn site, Zn is bonded in a 9-coordinate geometry to three Tb and six Zn atoms. There are two shorter (2.58 Å) and two longer (2.88 Å) Zn–Zn bond lengths. In the seventh Zn site, Zn is bonded in a 7-coordinate geometry to three Tb and ten Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.63–3.03 Å. In the eighth Zn site, Zn is bonded in a 8-coordinate geometry to four Tb and five Zn atoms. In the ninth Zn site, Zn is bonded in a 10-coordinate geometry to three Tb and seven Zn atoms. There are one shorter (2.61 Å) and two longer (2.79 Å) Zn–Zn bond lengths. In the tenth Zn site, Zn is bonded in a 11-coordinate geometry to five Tb and six equivalent Zn atoms. In the eleventh Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Zn atoms. In the twelfth Zn site, Zn is bonded to three equivalent Tb and nine Zn atoms to form face-sharing ZnTb3Zn9 cuboctahedra.
DOI: 10.17188/1745937
title: Materials Data on K(AuO2)2 by Materials Project

description: K(AuO2)2 crystallizes in the tetragonal P4_2/mmc space group. The structure is three-dimensional. K1+ is bonded to eight equivalent O2- atoms to form distorted corner-sharing KO8 hexagonal bipyramids. All K–O bond lengths are 2.86 Å. Au+3.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Au–O bond lengths are 2.02 Å. O2- is bonded in a distorted see-saw-like geometry to two equivalent K1+ and two equivalent Au+3.50+ atoms.
DOI: 10.17188/1745938
title: Materials Data on Li4Ti2Fe3Sb3O16 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: 10.17188/1745939
title: Materials Data on CaV4O10 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: 10.17188/1745940
title: Materials Data on Mn2Fe9N8 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: 10.17188/1745941
title: Materials Data on Li4V3P8O29 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: 10.17188/1745942
title: Materials Data on KSO2F by Materials Project

description: KSO2F crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to six O2- and three equivalent F1- atoms. There are a spread of K–O bond distances ranging from 2.89–3.25 Å. There are a spread of K–F bond distances ranging from 2.84–3.00 Å. S4+ is bonded in a trigonal non-coplanar geometry to two O2- and one F1- atom. There is one shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. The S–F bond length is 1.83 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S4+ atom. F1- is bonded in a 1-coordinate geometry to three equivalent K1+ and one S4+ atom.