cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1751594
title: Materials Data on YbSiO3 by Materials Project

description: YbSiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb2+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Yb–O bond lengths are 2.52 Å. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.78 Å. O2- is bonded in a distorted linear geometry to four equivalent Yb2+ and two equivalent Si4+ atoms.
DOI: 10.17188/1751595
title: Materials Data on CeZn2Co by Materials Project

description: CeCoZn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ce is bonded in a 2-coordinate geometry to four equivalent Co and eight equivalent Zn atoms. There are two shorter (2.65 Å) and two longer (3.00 Å) Ce–Co bond lengths. There are a spread of Ce–Zn bond distances ranging from 3.11–3.44 Å. Co is bonded in a 10-coordinate geometry to four equivalent Ce and six equivalent Zn atoms. There are two shorter (2.68 Å) and four longer (2.71 Å) Co–Zn bond lengths. Zn is bonded in a 11-coordinate geometry to four equivalent Ce, three equivalent Co, and four equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.46–2.61 Å.
DOI: 10.17188/1751596
title: Materials Data on Ti3Cr2Ni(PO4)6 by Materials Project

description: Ti3Cr2Ni(PO4)6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra and a faceface with one CrO6 octahedra. There is three shorter (1.90 Å) and three longer (2.07 Å) Ti–O bond length. In the second Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.88 Å) and three longer (2.02 Å) Ti–O bond length. In the third Ti4+ site, Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share corners with six PO4 tetrahedra. There is three shorter (1.88 Å) and three longer (2.08 Å) Ti–O bond length. There are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to six O2- atoms to form distorted CrO6 octahedra that share corners with six PO4 tetrahedra, a faceface with one TiO6 octahedra, and a faceface with one NiO6 octahedra. There are three shorter (2.17 Å) and three longer (2.24 Å) Cr–O bond lengths. In the second Cr2+ site, Cr2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.26 Å) and three longer (2.28 Å) Cr–O bond lengths. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six PO4 tetrahedra and a faceface with one CrO6 octahedra. There are three shorter (1.99 Å) and three longer (2.12 Å) Ni–O bond lengths. 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 CrO6 octahedra, a cornercorner with one NiO6 octahedra, and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 25–50°. There are a spread of P–O bond distances ranging from 1.49–1.57 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share a cornercorner with one CrO6 octahedra, a cornercorner with one NiO6 octahedra, and corners with three TiO6 octahedra. The corner-sharing octahedra tilt angles range from 23–50°. There are a spread of P–O bond distances ranging from 1.53–1.56 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+, one Cr2+, and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Ni2+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+, one Cr2+, and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Cr2+, one Ni2+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+, one Cr2+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to one Ti4+ and one P5+ atom.
DOI: 10.17188/1751597
title: Materials Data on TbMgAg by Materials Project

description: MgTbAg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to six equivalent Tb and four Ag atoms. There are two shorter (3.36 Å) and four longer (3.46 Å) Mg–Tb bond lengths. There are two shorter (2.82 Å) and two longer (2.97 Å) Mg–Ag bond lengths. Tb is bonded in a 5-coordinate geometry to six equivalent Mg and five Ag atoms. There are four shorter (3.12 Å) and one longer (3.18 Å) Tb–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Tb atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Tb atoms.
DOI: 10.17188/1751598
title: Materials Data on LuGaCuO4 by Materials Project

description: LuCuGaO4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form distorted LuO6 octahedra that share corners with three equivalent CuO5 trigonal bipyramids, corners with three equivalent GaO5 trigonal bipyramids, and edges with six equivalent LuO6 octahedra. There are three shorter (2.20 Å) and three longer (2.29 Å) Lu–O bond lengths. Cu2+ is bonded to five O2- atoms to form CuO5 trigonal bipyramids that share corners with three equivalent LuO6 octahedra, corners with six equivalent CuO5 trigonal bipyramids, and edges with three equivalent GaO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 66°. There are a spread of Cu–O bond distances ranging from 1.96–2.10 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with three equivalent LuO6 octahedra, corners with six equivalent GaO5 trigonal bipyramids, and edges with three equivalent CuO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. There are a spread of Ga–O bond distances ranging from 1.89–2.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Lu3+ and one Cu2+ atom to form OLu3Cu tetrahedra that share corners with nine OLu3Cu tetrahedra, corners with four OGa3Cu trigonal pyramids, and edges with three equivalent OLu3Ga tetrahedra. In the second O2- site, O2- is bonded to three equivalent Lu3+ and one Ga3+ atom to form distorted OLu3Ga tetrahedra that share corners with nine OLu3Cu tetrahedra, corners with four OGa3Cu trigonal pyramids, and edges with three equivalent OLu3Cu tetrahedra. In the third O2- site, O2- is bonded to one Cu2+ and three equivalent Ga3+ atoms to form OGa3Cu trigonal pyramids that share corners with four OLu3Cu tetrahedra, corners with six equivalent OGa3Cu trigonal pyramids, and edges with three equivalent OGaCu3 trigonal pyramids. In the fourth O2- site, O2- is bonded to three equivalent Cu2+ and one Ga3+ atom to form OGaCu3 trigonal pyramids that share corners with four OLu3Cu tetrahedra, corners with six equivalent OGaCu3 trigonal pyramids, and edges with three equivalent OGa3Cu trigonal pyramids.
DOI: 10.17188/1751599
title: Materials Data on Ba2TaMnO6 by Materials Project

description: Ba2TaMnO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, faces with four equivalent TaO6 octahedra, and faces with four equivalent MnO6 octahedra. All Ba–O bond lengths are 2.91 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent MnO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.01 Å. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mn–O bond lengths are 2.10 Å. O2- is bonded in a distorted linear geometry to four equivalent Ba2+, one Ta5+, and one Mn3+ atom.
DOI: 10.17188/1751600
title: Materials Data on VO 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: 10.17188/1751601
title: Materials Data on LiFe2(BO3)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: 10.17188/1751602
title: Materials Data on CeEuCd2 by Materials Project

description: EuCeCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Eu–Cd bond lengths are 3.36 Å. Ce is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Ce–Cd bond lengths are 3.36 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Eu and four equivalent Ce atoms.
DOI: 10.17188/1751603
title: Materials Data on Te2NO7 by Materials Project

description: NO3(TeO2)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of four nitric acid molecules and two TeO2 sheets oriented in the (0, 0, 1) direction. In each TeO2 sheet, Te is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are a spread of Te–O bond distances ranging from 1.92–2.15 Å. There are three inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Te atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Te atoms. In the third O site, O is bonded in a water-like geometry to two equivalent Te atoms.
DOI: 10.17188/1751604
title: Materials Data on CaV2P2O9 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: 10.17188/1751605
title: Materials Data on MgH16C4S4N2(O4F3)4 by Materials Project

description: MgN2H10S4(O5F)2(CHF3)2(CF2)2(H2O)2(O2)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four difluoromethane molecules, four fluoroform molecules, four hydrogen peroxide molecules, four water molecules, and two MgN2H10S4(O5F)2 clusters. In each MgN2H10S4(O5F)2 cluster, Mg2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are two shorter (1.99 Å) and two longer (2.05 Å) Mg–O bond lengths. N5+ is bonded in a trigonal planar geometry to one H1+, one S, and one O2- atom. The N–H bond length is 1.44 Å. The N–S bond length is 1.70 Å. The N–O bond length is 1.22 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 1.00 Å. The H–F bond length is 1.58 Å. In the second H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.03 Å) and one longer (1.59 Å) H–O bond length. In the third 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 fourth H1+ site, H1+ is bonded in a linear geometry to one N5+ and one F1- atom. The H–F bond length is 1.04 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one S atom. The H–S bond length is 1.36 Å. There are two inequivalent S sites. In the first S site, S is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of S–O bond distances ranging from 1.46–1.81 Å. In the second S site, S is bonded in a distorted water-like geometry to one N5+ and one H1+ atom. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one Mg2+ and one S atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to three H1+ atoms. In the third O2- site, O2- is bonded in a single-bond geometry to one S atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one Mg2+, one H1+, and one S atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. F1- is bonded in a distorted single-bond geometry to two H1+ atoms.
DOI: 10.17188/1751606
title: Materials Data on PrMgAg by Materials Project

description: MgPrAg crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four Ag atoms. There are two shorter (2.88 Å) and two longer (3.04 Å) Mg–Ag bond lengths. Pr is bonded in a 5-coordinate geometry to five Ag atoms. There are four shorter (3.21 Å) and one longer (3.25 Å) Pr–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent Pr atoms. In the second Ag site, Ag is bonded in a 9-coordinate geometry to three equivalent Mg and six equivalent Pr atoms.
DOI: 10.17188/1751607
title: Materials Data on Zn 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: 10.17188/1751608
title: Materials Data on Te2W2N2O by Materials Project

description: W2N2Te2O crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. W6+ is bonded in a distorted bent 120 degrees geometry to one N3-, two equivalent Te2-, and one O2- atom. The W–N bond length is 1.72 Å. Both W–Te bond lengths are 2.83 Å. The W–O bond length is 1.95 Å. N3- is bonded in a single-bond geometry to one W6+ and four equivalent Te2- atoms. There are two shorter (3.35 Å) and two longer (3.97 Å) N–Te bond lengths. Te2- is bonded in a 4-coordinate geometry to two equivalent W6+, four equivalent N3-, one Te2-, and one O2- atom. The Te–Te bond length is 2.85 Å. The Te–O bond length is 3.68 Å. O2- is bonded in a bent 150 degrees geometry to two equivalent W6+ and two equivalent Te2- atoms.
DOI: 10.17188/1751609
title: Materials Data on Ta2MnO6 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: 10.13145/bacdive126942.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126943.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126944.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126945.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126946.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126947.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126948.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126949.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126950.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126951.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126952.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126953.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126954.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126955.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126956.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126957.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126958.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126959.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126960.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126961.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126962.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126963.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126964.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126965.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126966.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126967.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126968.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126969.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126970.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126971.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126972.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126973.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126974.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126975.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126976.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126977.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive126978.20201210.5
title: Streptomyces abikoensis

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.