cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/ytd7my9gh2.1
title: Rainfall erosivity for the Njala Area in Southern Sierra Leone dataset

description: Rainfall erosivity is an important characteristic of rainfall the gives an indication of its aggressiveness and potential to cause soil erosion. There models (such the USLE/RUSLE EI30) for estimating rainfall erosivity but they require pluviographic records which are limited or not available in developing countries like Sierra Leone. To address this challenge, methods have been developed to estimate rainfall erosivity from the relationship between rainfall erosivity (derived from pluviographic records) and the more readily available daily and monthly rainfall records. Furthermore despite the global application of the EI30 index, there are questions about its suitability at the local level. This dataset shows how rainfall erosivity indices, EI30, EIavg and ETI were calculated from available rainfall records in the Njala Area of Southern Sierra Leone. These indices were then used to derive relationships between rainfall erosivity and daily/monthly rainfall records which are readily available in the study area. These datasets have been generated for determining a suitable erosivity model for estimating rainfall erosivity from daily and monthly rainfall records for the Njala area.
DOI: 10.17188/1684314
title: Materials Data on Sm(Ga4Fe)2 by Materials Project

description: Sm(FeGa4)2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to thirteen Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.13–3.42 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Fe–Ga bond distances ranging from 2.35–2.63 Å. In the second Fe site, Fe is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Fe–Ga bond distances ranging from 2.33–2.62 Å. There are nine inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Fe, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.75–3.03 Å. In the second Ga site, Ga is bonded to two equivalent Sm, two equivalent Fe, and eight Ga atoms to form a mixture of distorted corner and face-sharing GaSm2Ga8Fe2 cuboctahedra. All Ga–Ga bond lengths are 2.93 Å. In the third Ga site, Ga is bonded to four equivalent Fe and eight Ga atoms to form distorted face-sharing GaGa8Fe4 cuboctahedra. There are a spread of Ga–Ga bond distances ranging from 2.69–2.94 Å. In the fourth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Fe, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.69–3.08 Å. In the fifth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Fe, and six Ga atoms. There are one shorter (2.85 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Fe, and eight Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–3.12 Å. In the seventh Ga site, Ga is bonded in a 1-coordinate geometry to three Fe and eight Ga atoms. Both Ga–Ga bond lengths are 3.04 Å. In the eighth Ga site, Ga is bonded to two equivalent Sm, two Fe, and eight Ga atoms to form a mixture of distorted corner and face-sharing GaSm2Ga8Fe2 cuboctahedra. In the ninth Ga site, Ga is bonded in a 12-coordinate geometry to two equivalent Sm, two equivalent Fe, and eight Ga atoms.
DOI: 10.17188/1684315
title: Materials Data on K2NaGaCl6 by Materials Project

description: K2NaGaCl6 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 NaCl6 octahedra, and faces with four equivalent GaCl6 octahedra. All K–Cl bond lengths are 3.63 Å. Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent GaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.74 Å. Ga3+ is bonded to six equivalent Cl1- atoms to form GaCl6 octahedra that share corners with six equivalent NaCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Cl bond lengths are 2.39 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one Ga3+ atom.
DOI: 10.17188/1684316
title: Materials Data on Li2InHg by Materials Project

description: Li2HgIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent In atoms. All Li–Hg bond lengths are 2.90 Å. All Li–In bond lengths are 2.90 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Li atoms. In is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1684317
title: Materials Data on VPNO5 by Materials Project

description: (VOPO4)2N2 crystallizes in the orthorhombic Pnn2 space group. The structure is three-dimensional and consists of eight ammonia molecules and one VOPO4 framework. In the VOPO4 framework, there are two inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–43°. There are a spread of V–O bond distances ranging from 1.68–2.04 Å. In the second V4+ site, V4+ is bonded to six O2- atoms to form VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 41–43°. There are a spread of V–O bond distances ranging from 1.68–2.12 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 41–51°. There is two shorter (1.53 Å) and two longer (1.57 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 37–51°. There is three shorter (1.55 Å) and one longer (1.56 Å) P–O bond length. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four VO6 octahedra. The corner-sharing octahedra tilt angles range from 40–49°. There is two shorter (1.54 Å) and two longer (1.57 Å) P–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one P5+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one V4+ and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one P5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two V4+ atoms. In the eighth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V4+ atoms. In the tenth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one V4+ and one P5+ atom.
DOI: 10.17632/ky8kjsyb24.1
title: Supplemental tables and figures - Clinical characteristics and long-term outcome of 223 patients with mycosis fungoides at a single tertiary center in Korea: A 29-year review

description: Supplemental tables and figures for “Clinical characteristics and long-term outcome of 223 patients with mycosis fungoides at a single tertiary center in Korea: A 29-year review”
DOI: 10.17188/1684318
title: Materials Data on Tb2Cr3O19 by Materials Project

description: Tb2Cr3O17O2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four oxygen molecules and one Tb2Cr3O17 framework. In the Tb2Cr3O17 framework, there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Tb–O bond distances ranging from 2.22–2.73 Å. In the second Tb site, Tb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.54 Å. There are three inequivalent Cr sites. In the first Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.65–1.68 Å. In the second Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.64–1.68 Å. In the third Cr site, Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.60–1.70 Å. There are seventeen inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Tb and one Cr atom. In the second O site, O is bonded in a distorted water-like geometry to one Tb and one Cr atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Tb and one Cr atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Tb and one Cr atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent Tb and one Cr atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Tb and one Cr atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Tb and one Cr atom. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Tb and one Cr atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Tb and one Cr atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one Tb and one Cr atom. In the eleventh O site, O is bonded in a single-bond geometry to one Cr atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Tb and one Cr atom. In the thirteenth O site, O is bonded in an L-shaped geometry to one Tb and one O atom. The O–O bond length is 1.29 Å. In the fourteenth O site, O is bonded in a water-like geometry to one Tb and one O atom. The O–O bond length is 1.32 Å. In the fifteenth O site, O is bonded in a single-bond geometry to one Tb atom. In the sixteenth O site, O is bonded in a single-bond geometry to one Tb atom. In the seventeenth O site, O is bonded in a bent 120 degrees geometry to two O atoms.
DOI: 10.17188/1684320
title: Materials Data on Y5IrCl9 by Materials Project

description: Y5IrCl9 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are five inequivalent Y sites. In the first Y site, Y is bonded to one Ir and five Cl atoms to form YIrCl5 octahedra that share corners with three YIr3Cl3 octahedra and edges with six YIrCl5 octahedra. The corner-sharing octahedra tilt angles range from 2–17°. The Y–Ir bond length is 2.74 Å. There are a spread of Y–Cl bond distances ranging from 2.71–3.00 Å. In the second Y site, Y is bonded to six Cl atoms to form a mixture of edge and corner-sharing YCl6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Y–Cl bond distances ranging from 2.57–2.76 Å. In the third Y site, Y is bonded to three equivalent Ir and three Cl atoms to form a mixture of distorted edge and corner-sharing YIr3Cl3 octahedra. The corner-sharing octahedra tilt angles range from 16–18°. There are two shorter (2.85 Å) and one longer (2.86 Å) Y–Ir bond lengths. There are one shorter (2.89 Å) and two longer (2.93 Å) Y–Cl bond lengths. In the fourth Y site, Y is bonded to one Ir and five Cl atoms to form YIrCl5 octahedra that share corners with two YIr3Cl3 octahedra and edges with six YIrCl5 octahedra. The corner-sharing octahedra tilt angles range from 9–16°. The Y–Ir bond length is 2.77 Å. There are a spread of Y–Cl bond distances ranging from 2.75–2.83 Å. In the fifth Y site, Y is bonded to one Ir and five Cl atoms to form YIrCl5 octahedra that share corners with three YIr3Cl3 octahedra and edges with six YIrCl5 octahedra. The corner-sharing octahedra tilt angles range from 5–18°. The Y–Ir bond length is 2.76 Å. There are a spread of Y–Cl bond distances ranging from 2.72–3.00 Å. Ir is bonded to six Y atoms to form distorted edge-sharing IrY6 octahedra. There are nine inequivalent Cl sites. In the first Cl site, Cl is bonded in a T-shaped geometry to three Y atoms. In the second Cl site, Cl is bonded in a distorted T-shaped geometry to three Y atoms. In the third Cl site, Cl is bonded in a water-like geometry to two equivalent Y atoms. In the fourth Cl site, Cl is bonded in a T-shaped geometry to three Y atoms. In the fifth Cl site, Cl is bonded in a distorted T-shaped geometry to three Y atoms. In the sixth Cl site, Cl is bonded in a T-shaped geometry to three Y atoms. In the seventh Cl site, Cl is bonded in a water-like geometry to two Y atoms. In the eighth Cl site, Cl is bonded in a distorted T-shaped geometry to three Y atoms. In the ninth Cl site, Cl is bonded in a water-like geometry to two equivalent Y atoms.
DOI: 10.17188/1684321
title: Materials Data on Ba4MnN4 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: 10.17188/1684322
title: Materials Data on LuZr6(PO4)9 by Materials Project

description: LuZr6(PO4)9 crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Lu3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Lu–O bond lengths are 2.30 Å. There are three inequivalent Zr4+ sites. In the first Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.08 Å) and three longer (2.11 Å) Zr–O bond lengths. In the second Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.02 Å) and three longer (2.25 Å) Zr–O bond lengths. In the third Zr4+ site, Zr4+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six PO4 tetrahedra. There are three shorter (2.07 Å) and three longer (2.12 Å) Zr–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 corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 26–50°. There are a spread of P–O bond distances ranging from 1.53–1.59 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four ZrO6 octahedra. The corner-sharing octahedra tilt angles range from 26–28°. There is two shorter (1.52 Å) and two longer (1.56 Å) P–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+, one Zr4+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr4+ and one P5+ atom.
DOI: 10.17188/1684323
title: Materials Data on Na2CeCuCl6 by Materials Project

description: (Na)2CeCuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one CeCuCl6 framework. In the CeCuCl6 framework, Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.72 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent CeCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.50 Å. Cl1- is bonded in a linear geometry to one Ce3+ and one Cu1+ atom.
DOI: 10.17188/1684324
title: Materials Data on Na(Nb3S4)2 by Materials Project

description: Na(Nb3S4)2 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. Na1+ is bonded in a distorted hexagonal planar geometry to six equivalent S2- atoms. All Na–S bond lengths are 3.17 Å. Nb+2.50+ is bonded to six S2- atoms to form a mixture of corner, edge, and face-sharing NbS6 octahedra. The corner-sharing octahedra tilt angles range from 44–54°. There are a spread of Nb–S bond distances ranging from 2.48–2.68 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to one Na1+ and four equivalent Nb+2.50+ atoms. In the second S2- site, S2- is bonded to six equivalent Nb+2.50+ atoms to form distorted face-sharing SNb6 pentagonal pyramids.
DOI: 10.17188/1684325
title: Materials Data on Mn3PtF6 by Materials Project

description: Mn2PtF4MnF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one manganese(ii) fluoride molecule and one Mn2PtF4 sheet oriented in the (0, 0, 1) direction. In the Mn2PtF4 sheet, there are two inequivalent Mn+2.67+ sites. In the first Mn+2.67+ site, Mn+2.67+ is bonded in a distorted square co-planar geometry to four F1- atoms. There are two shorter (2.10 Å) and two longer (2.14 Å) Mn–F bond lengths. In the second Mn+2.67+ site, Mn+2.67+ is bonded in a 2-coordinate geometry to four F1- atoms. There are two shorter (2.01 Å) and two longer (2.52 Å) Mn–F bond lengths. Pt2- is bonded in a linear geometry to two equivalent F1- atoms. Both Pt–F bond lengths are 2.01 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 120 degrees geometry to two Mn+2.67+ atoms. In the second F1- site, F1- is bonded in a 3-coordinate geometry to two Mn+2.67+ and one Pt2- atom.
DOI: 10.17632/hfd5j8fbcz.1
title: Data of the sediment core DH03 from the outer shelf of the East China Sea

description: This dataset includes a total of eleven files for the sediment core DH03 from the outer: six Excel files showing the viriations of hysteresis parameters, S-ratio and SIRM, microfossils, and geochemistry (i.e., TOC, total S, and iron) versus depths, and the raw data of five representative samples have been rock magnetically analysized for thermal demagnetization (TD) of 3-axis IRM and low-temperature curves, respectively; and five frc files that are the raw data of the first-order reveral curve (FORC) diagrams of the five representative samples, these files should be opened and processed by the FORCinel software of Harrison & Feinberg (2008).
DOI: 10.17188/1684326
title: Materials Data on GdGeIr by Materials Project

description: GdIrGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to six equivalent Ir and five equivalent Ge atoms. There are a spread of Gd–Ir bond distances ranging from 3.05–3.35 Å. There are a spread of Gd–Ge bond distances ranging from 3.03–3.07 Å. Ir is bonded in a 10-coordinate geometry to six equivalent Gd and four equivalent Ge atoms. There are three shorter (2.58 Å) and one longer (2.65 Å) Ir–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to five equivalent Gd and four equivalent Ir atoms.
DOI: 10.17188/1684328
title: Materials Data on Hf5As3 by Materials Project

description: Hf5As3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are ten inequivalent Hf sites. In the first Hf site, Hf is bonded to five As atoms to form a mixture of distorted edge, corner, and face-sharing HfAs5 trigonal bipyramids. There are a spread of Hf–As bond distances ranging from 2.64–2.77 Å. In the second Hf site, Hf is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Hf–As bond distances ranging from 2.75–3.04 Å. In the third Hf site, Hf is bonded in a distorted rectangular see-saw-like geometry to four As atoms. There are a spread of Hf–As bond distances ranging from 2.68–2.92 Å. In the fourth Hf site, Hf is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Hf–As bond distances ranging from 2.76–3.08 Å. In the fifth Hf site, Hf is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Hf–As bond distances ranging from 2.63–2.83 Å. In the sixth Hf site, Hf is bonded in a 4-coordinate geometry to five As atoms. There are a spread of Hf–As bond distances ranging from 2.78–3.26 Å. In the seventh Hf site, Hf is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Hf–As bond distances ranging from 2.75–3.01 Å. In the eighth Hf site, Hf is bonded in a 5-coordinate geometry to five As atoms. There are a spread of Hf–As bond distances ranging from 2.71–2.87 Å. In the ninth Hf site, Hf is bonded to five As atoms to form a mixture of distorted edge, corner, and face-sharing HfAs5 trigonal bipyramids. There are a spread of Hf–As bond distances ranging from 2.71–2.75 Å. In the tenth Hf site, Hf is bonded in a 4-coordinate geometry to four As atoms. There are a spread of Hf–As bond distances ranging from 2.67–2.88 Å. There are six inequivalent As sites. In the first As site, As is bonded in a 7-coordinate geometry to seven Hf atoms. In the second As site, As is bonded in a 9-coordinate geometry to nine Hf atoms. In the third As site, As is bonded in a 9-coordinate geometry to nine Hf atoms. In the fourth As site, As is bonded in a 8-coordinate geometry to eight Hf atoms. In the fifth As site, As is bonded to seven Hf atoms to form distorted edge-sharing AsHf7 pentagonal bipyramids. In the sixth As site, As is bonded in a 8-coordinate geometry to eight Hf atoms.