cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.13145/bacdive115866.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115867.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115868.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115869.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115870.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115871.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115872.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115873.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115874.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115875.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115876.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115877.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115878.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115879.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive115880.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.5517/ccdc.csd.cc212gf1
title: CCDC 1879202: Experimental Crystal Structure Determination

description: Related Article: Burak Ay, Onur Şahin, Emel Yildiz|2019|Solid State Sciences|96|105958|doi:10.1016/j.solidstatesciences.2019.105958
DOI: 10.13145/bacdive115881.20201210.5
title: Streptomyces sp.

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.17188/1675738
title: Materials Data on Th3In13Ni4 by Materials Project

description: Th3Ni4In13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Ni and twelve equivalent In atoms. All Th–Ni bond lengths are 3.41 Å. There are four shorter (3.37 Å) and eight longer (3.41 Å) Th–In bond lengths. Ni is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent In atoms. All Ni–In bond lengths are 2.63 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 2-coordinate geometry to three equivalent Th, two equivalent Ni, and one In atom. The In–In bond length is 3.30 Å. In the second In site, In is bonded in a cuboctahedral geometry to twelve equivalent In atoms.
DOI: 10.17188/1675740
title: Materials Data on Ca2MnNbO6 by Materials Project

description: Ca2NbMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.71 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 29–31°. There are four shorter (2.00 Å) and two longer (2.04 Å) Nb–O bond lengths. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 29–31°. There are a spread of Mn–O bond distances ranging from 1.93–2.12 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Nb5+, and one Mn3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Ca2+, one Nb5+, and one Mn3+ atom. In the third O2- site, O2- is bonded to two equivalent Ca2+, one Nb5+, and one Mn3+ atom to form distorted corner-sharing OCa2MnNb tetrahedra.
DOI: 10.17188/1675741
title: Materials Data on CoPtO2 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: 10.17188/1675742
title: Materials Data on ErGa4Ni by Materials Project

description: ErNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Er–Ni bond lengths are 3.12 Å. There are a spread of Er–Ga bond distances ranging from 2.89–3.38 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Er and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.52 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Er and six Ga atoms. There are two shorter (2.82 Å) and four longer (2.85 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Er, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 2.99 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Er, three equivalent Ni, and six Ga atoms. There are one shorter (2.62 Å) and two longer (2.93 Å) Ga–Ga bond lengths.
DOI: 10.17188/1675743
title: Materials Data on Dy5Ir3 by Materials Project

description: Dy5Ir3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent Ir atoms. All Dy–Ir bond lengths are 3.01 Å. In the second Dy site, Dy is bonded in a 5-coordinate geometry to five equivalent Ir atoms. There are a spread of Dy–Ir bond distances ranging from 2.87–3.30 Å. Ir is bonded in a 9-coordinate geometry to nine Dy atoms.
DOI: 10.17188/1675744
title: Materials Data on Sr3CoRuO6 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: 10.17188/1675745
title: Materials Data on NaNd9(Si3O13)2 by Materials Project

description: NaNd9(Si3O13)2 crystallizes in the trigonal P3 space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Na–O bond distances ranging from 2.51–3.02 Å. There are five inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.43–2.78 Å. In the second Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.43–2.81 Å. In the third Nd3+ site, Nd3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Nd–O bond distances ranging from 2.45–2.85 Å. In the fourth Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.29–2.81 Å. In the fifth Nd3+ site, Nd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Nd–O bond distances ranging from 2.31–2.66 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. In the second Si4+ site, Si4+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.61 Å) and three longer (1.66 Å) Si–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Nd3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Nd3+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Nd3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Nd3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one Si4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to three Nd3+ and one Si4+ atom. In the tenth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, two Nd3+, and one Si4+ atom.
DOI: 10.17188/1675746
title: Materials Data on MgU(PbO3)2 by Materials Project

description: Pb2MgUO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. There are a spread of Mg–O bond distances ranging from 2.12–2.17 Å. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. There are four shorter (2.08 Å) and two longer (2.14 Å) U–O bond lengths. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–2.76 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Mg2+, one U6+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+, one U6+, and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mg2+, one U6+, and two equivalent Pb2+ atoms.
DOI: 10.17188/1675748
title: Materials Data on MnFeO3 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: 10.17188/1675749
title: Materials Data on Er9(FeGe)10 by Materials Project

description: Er9(FeGe)10 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 7-coordinate geometry to four equivalent Fe and seven Ge atoms. There are two shorter (3.09 Å) and two longer (3.25 Å) Er–Fe bond lengths. There are a spread of Er–Ge bond distances ranging from 2.92–3.08 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to five Fe and six Ge atoms. There are one shorter (2.95 Å) and four longer (3.13 Å) Er–Fe bond lengths. There are a spread of Er–Ge bond distances ranging from 2.82–3.09 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to four equivalent Fe and six Ge atoms. All Er–Fe bond lengths are 3.15 Å. There are a spread of Er–Ge bond distances ranging from 2.89–3.21 Å. In the fourth Er site, Er is bonded in a 6-coordinate geometry to twelve Fe and two equivalent Ge atoms. There are four shorter (2.98 Å) and eight longer (3.20 Å) Er–Fe bond lengths. Both Er–Ge bond lengths are 2.93 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to five Er, three Fe, and four Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.73 Å. There are a spread of Fe–Ge bond distances ranging from 2.47–2.56 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three Er, five Fe, and two equivalent Ge atoms. The Fe–Fe bond length is 2.61 Å. Both Fe–Ge bond lengths are 2.64 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to eight Er and two equivalent Ge atoms. There are one shorter (2.67 Å) and one longer (2.68 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Er and four equivalent Fe atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to five Er and four equivalent Fe atoms. In the fourth Ge site, Ge is bonded in a 10-coordinate geometry to four Er and six Fe atoms.
DOI: 10.17188/1675750
title: Materials Data on DyMg2Ti3S8 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: 10.17188/1675752
title: Materials Data on K3LiPb4 by Materials Project

description: K3LiPb4 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two K3LiPb4 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent K sites. In the first K site, K is bonded in a bent 150 degrees geometry to two equivalent Pb atoms. Both K–Pb bond lengths are 3.74 Å. In the second K site, K is bonded in a 1-coordinate geometry to one Pb atom. The K–Pb bond length is 3.55 Å. Li is bonded in a distorted hexagonal planar geometry to six Pb atoms. There are two shorter (3.05 Å) and four longer (3.10 Å) Li–Pb bond lengths. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 2-coordinate geometry to two equivalent Li atoms. In the second Pb site, Pb is bonded in a 3-coordinate geometry to two K and one Li atom.
DOI: 10.17188/1675753
title: Materials Data on Tb2Si3 by Materials Project

description: Tb2Si3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 10-coordinate geometry to ten Si atoms. There are a spread of Tb–Si bond distances ranging from 2.98–3.13 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to eight Si atoms. There are a spread of Tb–Si bond distances ranging from 2.93–3.11 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six Tb and three Si atoms. There are one shorter (2.33 Å) and two longer (2.39 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to six Tb and two equivalent Si atoms. In the third Si site, Si is bonded in a 7-coordinate geometry to six Tb and one Si atom.
DOI: 10.17188/1675754
title: Materials Data on K5BrCl4 by Materials Project

description: K5BrCl4 is Caswellsilverite-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing KCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are three shorter (3.22 Å) and three longer (3.23 Å) K–Cl bond lengths. In the second K1+ site, K1+ is bonded to six equivalent Cl1- atoms to form a mixture of edge and corner-sharing KCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–Cl bond lengths are 3.23 Å. In the third K1+ site, K1+ is bonded to three equivalent Br1- and three equivalent Cl1- atoms to form a mixture of edge and corner-sharing KBr3Cl3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. All K–Br bond lengths are 3.29 Å. All K–Cl bond lengths are 3.19 Å. Br1- is bonded to six equivalent K1+ atoms to form BrK6 octahedra that share corners with six equivalent ClK6 octahedra, edges with six equivalent BrK6 octahedra, and edges with six equivalent ClK6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to six K1+ atoms to form ClK6 octahedra that share corners with three equivalent BrK6 octahedra, corners with three equivalent ClK6 octahedra, edges with three equivalent BrK6 octahedra, and edges with nine ClK6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second Cl1- site, Cl1- is bonded to six K1+ atoms to form a mixture of edge and corner-sharing ClK6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1675755
title: Materials Data on LiFeSiO4 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: 10.17188/1675756
title: Materials Data on ZrAu4 by Materials Project

description: Au4Zr crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr4+ is bonded in a 11-coordinate geometry to eleven Au1- atoms. There are a spread of Zr–Au bond distances ranging from 2.85–3.10 Å. There are four inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 2-coordinate geometry to two equivalent Zr4+ and nine Au1- atoms. There are a spread of Au–Au bond distances ranging from 2.74–3.23 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to three equivalent Zr4+ and five Au1- atoms. There are a spread of Au–Au bond distances ranging from 2.67–2.84 Å. In the third Au1- site, Au1- is bonded in a 3-coordinate geometry to three equivalent Zr4+ and four Au1- atoms. In the fourth Au1- site, Au1- is bonded in a distorted trigonal planar geometry to three equivalent Zr4+ and four equivalent Au1- atoms.
DOI: 10.17188/1675757
title: Materials Data on SmTiFe11N by Materials Project

description: SmTiFe11N crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sm is bonded in a distorted linear geometry to one Ti, ten Fe, and two equivalent N atoms. The Sm–Ti bond length is 3.18 Å. There are a spread of Sm–Fe bond distances ranging from 3.10–3.31 Å. Both Sm–N bond lengths are 2.43 Å. Ti is bonded in a 1-coordinate geometry to one Sm and thirteen Fe atoms. There are a spread of Ti–Fe bond distances ranging from 2.35–2.95 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to six Fe and one N atom. There are four shorter (2.46 Å) and two longer (2.62 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.92 Å. In the second Fe site, Fe is bonded in a single-bond geometry to two equivalent Ti, six Fe, and one N atom. There are four shorter (2.49 Å) and two longer (2.65 Å) Fe–Fe bond lengths. The Fe–N bond length is 1.92 Å. In the third Fe site, Fe is bonded in a single-bond geometry to one Ti, six Fe, and one N atom. There are a spread of Fe–Fe bond distances ranging from 2.44–2.71 Å. The Fe–N bond length is 1.92 Å. In the fourth Fe site, Fe is bonded to two equivalent Sm, one Ti, and nine Fe atoms to form distorted FeSm2TiFe9 cuboctahedra that share corners with ten equivalent FeSm2TiFe9 cuboctahedra, corners with two equivalent NSm2Fe4 octahedra, edges with four equivalent FeSm2TiFe9 cuboctahedra, faces with six equivalent FeSm2TiFe9 cuboctahedra, and faces with two equivalent NSm2Fe4 octahedra. The corner-sharing octahedra tilt angles range from 67–69°. There are a spread of Fe–Fe bond distances ranging from 2.43–2.64 Å. In the fifth Fe site, Fe is bonded in a 1-coordinate geometry to one Ti and eight Fe atoms. All Fe–Fe bond lengths are 2.97 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to one Sm, two equivalent Ti, and eleven Fe atoms. The Fe–Fe bond length is 2.40 Å. N is bonded to two equivalent Sm and four Fe atoms to form NSm2Fe4 octahedra that share corners with eight equivalent FeSm2TiFe9 cuboctahedra, corners with two equivalent NSm2Fe4 octahedra, and faces with eight equivalent FeSm2TiFe9 cuboctahedra. The corner-sharing octahedral tilt angles are 2°.
DOI: 10.17188/1675758
title: Materials Data on Li2VOF4 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: 10.17188/1675759
title: Materials Data on Cs2YInI6 by Materials Project

description: Cs2YInI6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, faces with four equivalent YI6 octahedra, and faces with four equivalent InI6 octahedra. All Cs–I bond lengths are 4.52 Å. Y3+ is bonded to six equivalent I1- atoms to form YI6 octahedra that share corners with six equivalent InI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Y–I bond lengths are 3.03 Å. In1+ is bonded to six equivalent I1- atoms to form InI6 octahedra that share corners with six equivalent YI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All In–I bond lengths are 3.35 Å. I1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Y3+, and one In1+ atom.