cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1681255
title: Materials Data on LiSc(BH4)4 by Materials Project

description: LiSc(BH4)4 crystallizes in the orthorhombic Ccc2 space group. The structure is one-dimensional and consists of four LiSc(BH4)4 ribbons oriented in the (1, 0, 0) direction. Li1+ is bonded in a linear geometry to two equivalent H+0.50+ atoms. Both Li–H bond lengths are 1.80 Å. Sc3+ is bonded in a distorted q6 geometry to ten H+0.50+ atoms. There are a spread of Sc–H bond distances ranging from 2.09–2.16 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. There are a spread of B–H bond distances ranging from 1.22–1.24 Å. In the second B3- site, B3- is bonded in a tetrahedral geometry to four H+0.50+ atoms. There are a spread of B–H bond distances ranging from 1.21–1.25 Å. There are eight inequivalent H+0.50+ sites. In the first H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one B3- atom. In the second H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Sc3+ and one B3- atom. In the third H+0.50+ site, H+0.50+ is bonded in a water-like geometry to one Li1+ and one B3- atom. In the fourth H+0.50+ site, H+0.50+ is bonded in a single-bond geometry to one B3- atom. In the fifth H+0.50+ site, H+0.50+ is bonded in a distorted L-shaped geometry to one Sc3+ and one B3- atom. In the sixth H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Sc3+ and one B3- atom. In the seventh H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Sc3+ and one B3- atom. In the eighth H+0.50+ site, H+0.50+ is bonded in a distorted single-bond geometry to one Sc3+ and one B3- atom.
DOI: 10.17188/1681256
title: Materials Data on NaB5PbO9 by Materials Project

description: NaPbB5O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.40–2.76 Å. There are five inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.37 Å) and two longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.41 Å. In the third B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. In the fourth B3+ site, B3+ is bonded to four O2- atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.46–1.53 Å. In the fifth B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.35–1.40 Å. Pb2+ is bonded in a 1-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.24–3.22 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one B3+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two B3+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+, two B3+, and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two B3+ and two equivalent Pb2+ atoms. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two B3+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and two B3+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+, two B3+, and one Pb2+ atom.
DOI: 10.25403/upresearchdata.13298390
title: Exploring the role of data-driven decision-making under uncertainty

description: This qualitative research was conducted and intended to explore the role of data-driven decision-making under uncertainty conditions. The supporting data for this research is included in the form of consent forms gathered from participants.<br>
DOI: 10.17188/1681258
title: Materials Data on KSb(SO4)2 by Materials Project

description: KSb(SO4)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 2.79–3.22 Å. Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.31 Å. There are two inequivalent S6+ sites. In the first S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.58 Å. In the second S6+ site, S6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.45–1.58 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one S6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Sb3+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Sb3+, and one S6+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one S6+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one K1+, one Sb3+, and one S6+ atom.
DOI: 10.5281/zenodo.4485519
title: CMIP5-historical dataset on Temperature and Precipitation

description: CMIP5-historical dataset on Temperature and Precipitation
DOI: 10.17188/1681260
title: Materials Data on Th(BOs)2 by Materials Project

description: Th(OsB)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Th4+ is bonded in a 4-coordinate geometry to four equivalent Os2- atoms. All Th–Os bond lengths are 3.04 Å. Os2- is bonded in a 4-coordinate geometry to two equivalent Th4+ and four equivalent B atoms. There are two shorter (2.10 Å) and two longer (2.18 Å) Os–B bond lengths. B is bonded to four equivalent Os2- atoms to form a mixture of distorted edge and corner-sharing BOs4 trigonal pyramids.
DOI: 10.5281/zenodo.4485518
title: CMIP5-historical dataset on Temperature and Precipitation

description: CMIP5-historical dataset on Temperature and Precipitation
DOI: 10.17188/1681261
title: Materials Data on Lu(MnAl)6 by Materials Project

description: Lu(MnAl)6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Lu is bonded in a 8-coordinate geometry to twelve Mn and eight Al atoms. There are four shorter (3.18 Å) and eight longer (3.30 Å) Lu–Mn bond lengths. There are a spread of Lu–Al bond distances ranging from 2.88–3.04 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two equivalent Lu, four Mn, and six Al atoms. There are two shorter (2.46 Å) and two longer (2.52 Å) Mn–Mn bond lengths. There are a spread of Mn–Al bond distances ranging from 2.52–2.62 Å. In the second Mn site, Mn is bonded to two equivalent Lu, four equivalent Mn, and six Al atoms to form a mixture of distorted edge, corner, and face-sharing MnLu2Mn4Al6 cuboctahedra. There are a spread of Mn–Al bond distances ranging from 2.61–2.64 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to one Lu, six Mn, and three Al atoms. There are one shorter (2.70 Å) and two longer (2.80 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 8-coordinate geometry to one Lu, six Mn, and one Al atom. The Al–Al bond length is 2.80 Å. In the third Al site, Al is bonded in a 12-coordinate geometry to two equivalent Lu, six Mn, and two equivalent Al atoms.
DOI: 10.17188/1681262
title: Materials Data on UP2H10CO11 by Materials Project

description: UCP2H10O11 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two UCP2H10O11 ribbons oriented in the (0, 1, 0) direction. U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent PCO3 tetrahedra. There are a spread of U–O bond distances ranging from 1.81–2.50 Å. C4- is bonded in a distorted tetrahedral geometry to two equivalent P5+ and two H1+ atoms. Both C–P bond lengths are 1.81 Å. Both C–H bond lengths are 1.10 Å. P5+ is bonded to one C4- and three O2- atoms to form PCO3 tetrahedra that share corners with two equivalent UO7 pentagonal bipyramids and a cornercorner with one PCO3 tetrahedra. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are six 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. 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 single-bond geometry to one C4- atom. In the fifth 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 sixth H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.55 Å) H–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one U6+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one U6+ and one P5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three H1+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to one U6+ and two equivalent H1+ atoms. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one P5+ and one H1+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.
DOI: 10.17188/1681263
title: Materials Data on LiCoSiO4 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: 10.17188/1681264
title: Materials Data on Li4NbFe5O12 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: 10.17188/1681267
title: Materials Data on Li3Mn4O8 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: 10.17188/1681268
title: Materials Data on Rb2YAuBr6 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: 10.17188/1681269
title: Materials Data on Ca5(PbN3)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: 10.17188/1681270
title: Materials Data on Ca3Co3N5 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: 10.17188/1681271
title: Materials Data on Mn(NiN)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: 10.17188/1681272
title: Materials Data on Ti2Co3Ge by Materials Project

description: Ti2Co3Ge crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a hexagonal planar geometry to six equivalent Co atoms. All Ti–Co bond lengths are 2.49 Å. In the second Ti site, Ti is bonded in a 9-coordinate geometry to six equivalent Co and three equivalent Ge atoms. There are three shorter (2.46 Å) and three longer (2.50 Å) Ti–Co bond lengths. All Ti–Ge bond lengths are 2.85 Å. Co is bonded in a 10-coordinate geometry to four Ti, four equivalent Co, and two equivalent Ge atoms. There are two shorter (2.43 Å) and two longer (2.50 Å) Co–Co bond lengths. Both Co–Ge bond lengths are 2.46 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Co atoms.
DOI: 10.17188/1681274
title: Materials Data on Sr2ZnSi2O7 by Materials Project

description: Sr2ZnSi2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.82 Å. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Zn–O bond lengths are 1.97 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent ZnO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Sr2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one Zn2+, and one Si4+ atom.
DOI: 10.6084/m9.figshare.13673452
title: reliability analysis.sav

description: a small sample group (n = 126) to test the reliability of a self-administered learned helplessness scale.
DOI: 10.17188/1681277
title: Materials Data on HoMnO3 by Materials Project

description: HoMnO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 2–3°. There are a spread of Ho–O bond distances ranging from 2.20–2.33 Å. Mn3+ is bonded in a square co-planar geometry to four equivalent O2- atoms. There are two shorter (1.99 Å) and two longer (2.02 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to four equivalent Ho3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Ho3+ and two equivalent Mn3+ atoms.
DOI: 10.17188/1681278
title: Materials Data on Sr3LaMn2O8 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: 10.6084/m9.figshare.13673452.v1
title: reliability analysis.sav

description: a small sample group (n = 126) to test the reliability of a self-administered learned helplessness scale.
DOI: 10.17188/1681279
title: Materials Data on LaGd(ClO)2 by Materials Project

description: GdLa(OCl)2 is Matlockite-derived structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to four equivalent O2- and five Cl1- atoms. All Gd–O bond lengths are 2.31 Å. There are four shorter (3.18 Å) and one longer (3.19 Å) Gd–Cl bond lengths. La3+ is bonded in a 9-coordinate geometry to four equivalent O2- and five Cl1- atoms. All La–O bond lengths are 2.38 Å. There are one shorter (3.16 Å) and four longer (3.17 Å) La–Cl bond lengths. O2- is bonded to two equivalent Gd3+ and two equivalent La3+ atoms to form a mixture of edge and corner-sharing OLa2Gd2 tetrahedra. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one La3+ atom. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to one Gd3+ and four equivalent La3+ atoms.
DOI: 10.17188/1681280
title: Materials Data on Na3Cl2 by Materials Project

description: Na3Cl2 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to two equivalent Na and six equivalent Cl atoms. Both Na–Na bond lengths are 3.36 Å. There are a spread of Na–Cl bond distances ranging from 2.95–3.23 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Cl atoms. All Na–Cl bond lengths are 3.13 Å. In the third Na site, Na is bonded in a 8-coordinate geometry to ten Na atoms. Both Na–Na bond lengths are 3.71 Å. Cl is bonded in a body-centered cubic geometry to eight Na atoms.
DOI: 10.17188/1681281
title: Materials Data on K2C7N4O by Materials Project

description: K2C5N4O(C)2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of four methane molecules and one K2C5N4O sheet oriented in the (0, 1, 0) direction. In the K2C5N4O sheet, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six N3- and one O2- atom to form distorted edge-sharing KN6O pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.80–3.07 Å. The K–O bond length is 3.06 Å. In the second K1+ site, K1+ is bonded to five N3- and two equivalent O2- atoms to form distorted KN5O2 pentagonal bipyramids that share edges with four KN6O pentagonal bipyramids and faces with two equivalent KN5O2 pentagonal bipyramids. There are a spread of K–N bond distances ranging from 2.89–3.19 Å. There are one shorter (2.89 Å) and one longer (2.94 Å) K–O bond lengths. There are five inequivalent C+1.71+ sites. In the first C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.28 Å. In the fourth C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fifth C+1.71+ site, C+1.71+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three K1+ and one C+1.71+ atom. In the second N3- site, N3- is bonded to three equivalent K1+ and one C+1.71+ atom to form a mixture of distorted edge and corner-sharing NK3C trigonal pyramids. In the third N3- site, N3- is bonded in a 1-coordinate geometry to three equivalent K1+ and one C+1.71+ atom. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent K1+ and one C+1.71+ atom. O2- is bonded in a distorted single-bond geometry to three K1+ and one C+1.71+ atom.
DOI: 10.17188/1681282
title: Materials Data on SnH7C2SeClO3 by Materials Project

description: SnC2H7SeO3Cl crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SnC2H7SeO3Cl ribbon oriented in the (1, 0, 0) direction. Sn2+ is bonded in a 6-coordinate geometry to two C, three O2-, and one Cl1- atom. There are one shorter (2.12 Å) and one longer (2.13 Å) Sn–C bond lengths. There are a spread of Sn–O bond distances ranging from 2.24–2.71 Å. The Sn–Cl bond length is 2.53 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn2+ and three H1+ atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C site, C is bonded in a distorted trigonal non-coplanar geometry to one Sn2+ and three H1+ atoms. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. There are six 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 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C atom. Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.68–1.82 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sn2+ and one Se2- atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one Se2- atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Sn2+ and one Se2- atom. Cl1- is bonded in a single-bond geometry to one Sn2+ atom.
DOI: 10.17188/1681283
title: Materials Data on Li2NbV3O8 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