cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1723078
title: Materials Data on Ta3WS8 by Materials Project

description: TaWS4(TaS2)2 is Molybdenite-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is two-dimensional and consists of two TaS2 sheets oriented in the (0, 0, 1) direction and two TaWS4 sheets oriented in the (0, 0, 1) direction. In each TaS2 sheet, Ta+4.67+ is bonded to six equivalent S2- atoms to form distorted edge-sharing TaS6 pentagonal pyramids. There are four shorter (2.47 Å) and two longer (2.48 Å) Ta–S bond lengths. S2- is bonded in a 3-coordinate geometry to three equivalent Ta+4.67+ atoms. In each TaWS4 sheet, Ta+4.67+ is bonded to six S2- atoms to form distorted TaS6 pentagonal pyramids that share edges with two equivalent TaS6 pentagonal pyramids and edges with four equivalent WS6 pentagonal pyramids. There are four shorter (2.47 Å) and two longer (2.49 Å) Ta–S bond lengths. W2+ is bonded to six S2- atoms to form distorted WS6 pentagonal pyramids that share edges with two equivalent WS6 pentagonal pyramids and edges with four equivalent TaS6 pentagonal pyramids. All W–S bond lengths are 2.44 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Ta+4.67+ and one W2+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Ta+4.67+ and two equivalent W2+ atoms.
DOI: 10.17188/1723079
title: Materials Data on GdGaI by Materials Project

description: GdGaI crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one GdGaI sheet oriented in the (0, 0, 1) direction. Gd is bonded to six equivalent Ga and three equivalent I atoms to form a mixture of distorted face and edge-sharing GdGa6I3 octahedra. There are three shorter (2.99 Å) and three longer (3.43 Å) Gd–Ga bond lengths. All Gd–I bond lengths are 3.18 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Gd and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.55 Å. I is bonded in a distorted T-shaped geometry to three equivalent Gd atoms.
DOI: 10.17188/1723082
title: Materials Data on Mn12O7F17 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: 10.17188/1723085
title: Materials Data on Gd12Co7 by Materials Project

description: Gd12Co7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Gd sites. In the first Gd site, Gd is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Gd–Co bond distances ranging from 2.95–3.10 Å. In the second Gd site, Gd is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Gd–Co bond distances ranging from 2.80–2.95 Å. In the third Gd site, Gd is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Gd–Co bond distances ranging from 2.84–3.10 Å. In the fourth Gd site, Gd is bonded in a 4-coordinate geometry to four Co atoms. There are a spread of Gd–Co bond distances ranging from 2.83–3.06 Å. In the fifth Gd site, Gd is bonded to four Co atoms to form distorted corner-sharing GdCo4 tetrahedra. There are a spread of Gd–Co bond distances ranging from 2.69–3.01 Å. In the sixth Gd site, Gd is bonded in a 5-coordinate geometry to five Co atoms. There are a spread of Gd–Co bond distances ranging from 2.78–3.08 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to seven Gd and one Co atom. The Co–Co bond length is 2.33 Å. In the second Co site, Co is bonded in a body-centered cubic geometry to eight Gd atoms. In the third Co site, Co is bonded in a 1-coordinate geometry to seven Gd and one Co atom. In the fourth Co site, Co is bonded in a 8-coordinate geometry to eight Gd atoms.
DOI: 10.17188/1723086
title: Materials Data on Ba2Cd2Sb3 by Materials Project

description: Ba2Cd2Sb3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded to six Sb+2.67- atoms to form BaSb6 octahedra that share corners with six equivalent BaSb7 pentagonal bipyramids, corners with seven CdSb4 tetrahedra, edges with four equivalent BaSb6 octahedra, an edgeedge with one BaSb7 pentagonal bipyramid, edges with five CdSb4 tetrahedra, and a faceface with one BaSb7 pentagonal bipyramid. There are a spread of Ba–Sb bond distances ranging from 3.50–3.57 Å. In the second Ba2+ site, Ba2+ is bonded to seven Sb+2.67- atoms to form BaSb7 pentagonal bipyramids that share corners with six equivalent BaSb6 octahedra, corners with seven CdSb4 tetrahedra, an edgeedge with one BaSb6 octahedra, edges with four equivalent BaSb7 pentagonal bipyramids, edges with three CdSb4 tetrahedra, a faceface with one BaSb6 octahedra, and faces with three equivalent BaSb7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 36–49°. There are a spread of Ba–Sb bond distances ranging from 3.59–3.78 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to four Sb+2.67- atoms to form CdSb4 tetrahedra that share corners with three equivalent BaSb6 octahedra, corners with three equivalent BaSb7 pentagonal bipyramids, corners with four CdSb4 tetrahedra, edges with three equivalent BaSb6 octahedra, edges with two equivalent BaSb7 pentagonal bipyramids, and edges with two equivalent CdSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–52°. There are three shorter (2.95 Å) and one longer (3.03 Å) Cd–Sb bond lengths. In the second Cd2+ site, Cd2+ is bonded to four Sb+2.67- atoms to form CdSb4 tetrahedra that share corners with four equivalent BaSb6 octahedra, corners with four equivalent BaSb7 pentagonal bipyramids, corners with four CdSb4 tetrahedra, edges with two equivalent BaSb6 octahedra, an edgeedge with one BaSb7 pentagonal bipyramid, and edges with three CdSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 25–57°. There are a spread of Cd–Sb bond distances ranging from 2.94–3.09 Å. There are three inequivalent Sb+2.67- sites. In the first Sb+2.67- site, Sb+2.67- is bonded in a 8-coordinate geometry to six Ba2+, one Cd2+, and one Sb+2.67- atom. The Sb–Sb bond length is 2.87 Å. In the second Sb+2.67- site, Sb+2.67- is bonded in a 7-coordinate geometry to four Ba2+ and three Cd2+ atoms. In the third Sb+2.67- site, Sb+2.67- is bonded to three equivalent Ba2+ and four Cd2+ atoms to form distorted edge-sharing SbBa3Cd4 pentagonal bipyramids.
DOI: 10.6084/m9.figshare.13685060
title: Additional file 1 of A hybrid, effectiveness-implementation research study protocol targeting antenatal care providers to provide female genital mutilation prevention and care services in Guinea, Kenya and Somalia

description: Additional file 1. Study tools and in-depth interview guides and consent model form.
DOI: 10.6084/m9.figshare.13685060.v1
title: Additional file 1 of A hybrid, effectiveness-implementation research study protocol targeting antenatal care providers to provide female genital mutilation prevention and care services in Guinea, Kenya and Somalia

description: Additional file 1. Study tools and in-depth interview guides and consent model form.
DOI: 10.17188/1723087
title: Materials Data on V2Cd3(GeO4)3 by Materials Project

description: V2Cd3(GeO4)3 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All V–O bond lengths are 2.04 Å. Cd2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.40 Å) and four longer (2.58 Å) Cd–O bond lengths. Ge4+ is bonded to four equivalent O2- atoms to form GeO4 tetrahedra that share corners with four equivalent VO6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ge–O bond lengths are 1.79 Å. O2- is bonded in a 4-coordinate geometry to one V3+, two equivalent Cd2+, and one Ge4+ atom.
DOI: 10.6084/m9.figshare.13685063
title: Additional file 2 of A hybrid, effectiveness-implementation research study protocol targeting antenatal care providers to provide female genital mutilation prevention and care services in Guinea, Kenya and Somalia

description: Additional file 2. Ethical approvals for study from WHO and in-country institutional review boards for Guinea, Kenya and Somalia.
DOI: 10.6084/m9.figshare.13685063.v1
title: Additional file 2 of A hybrid, effectiveness-implementation research study protocol targeting antenatal care providers to provide female genital mutilation prevention and care services in Guinea, Kenya and Somalia

description: Additional file 2. Ethical approvals for study from WHO and in-country institutional review boards for Guinea, Kenya and Somalia.
DOI: 10.17188/1723088
title: Materials Data on NaZn2(PO4)2 by Materials Project

description: NaZn2(PO4)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Na is bonded to six O atoms to form distorted NaO6 octahedra that share corners with four PO4 tetrahedra, corners with five ZnO4 tetrahedra, and an edgeedge with one PO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.31–2.72 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four O atoms to form ZnO4 tetrahedra that share corners with three equivalent NaO6 octahedra, a cornercorner with one ZnO4 tetrahedra, and corners with four PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 61–66°. There are a spread of Zn–O bond distances ranging from 1.93–1.98 Å. In the second Zn site, Zn is bonded to four O atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent NaO6 octahedra, a cornercorner with one ZnO4 tetrahedra, and corners with four PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–73°. There are a spread of Zn–O bond distances ranging from 1.95–2.08 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent NaO6 octahedra and corners with three ZnO4 tetrahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share a cornercorner with one NaO6 octahedra, corners with five ZnO4 tetrahedra, and an edgeedge with one NaO6 octahedra. The corner-sharing octahedral tilt angles are 62°. There are a spread of P–O bond distances ranging from 1.54–1.59 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Zn and one P atom. In the second O site, O is bonded in a 3-coordinate geometry to one Na, one Zn, and one P atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Na and one P atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to two Zn and one P atom. In the fifth O site, O is bonded in a 3-coordinate geometry to one Na, one Zn, and one P atom. In the sixth O site, O is bonded in a 3-coordinate geometry to one Na, one Zn, and one P atom. In the seventh O site, O is bonded in a trigonal planar geometry to one Na, one Zn, and one P atom. In the eighth O site, O is bonded in a trigonal planar geometry to one Na, one Zn, and one P atom.
DOI: 10.17188/1723089
title: Materials Data on Ba2YAg3O8 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: 10.17188/1723090
title: Materials Data on KNiSbO4 by Materials Project

description: KNiSbO4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.73–2.83 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share edges with two equivalent NiO6 octahedra and edges with four equivalent SbO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.09–2.13 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share edges with two equivalent SbO6 octahedra and edges with four equivalent NiO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.96–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent K1+, two equivalent Ni2+, and one Sb5+ atom. In the second O2- site, O2- is bonded to one K1+, one Ni2+, and two equivalent Sb5+ atoms to form distorted OKNiSb2 trigonal pyramids that share corners with five equivalent OK2NiSb2 square pyramids, corners with three OKNi2Sb trigonal pyramids, an edgeedge with one OK2NiSb2 square pyramid, and edges with two equivalent OKNi2Sb trigonal pyramids. In the third O2- site, O2- is bonded to two equivalent K1+, one Ni2+, and two equivalent Sb5+ atoms to form distorted OK2NiSb2 square pyramids that share corners with seven OKNi2Sb trigonal pyramids, edges with two equivalent OK2NiSb2 square pyramids, and edges with three OKNi2Sb trigonal pyramids. In the fourth O2- site, O2- is bonded to one K1+, two equivalent Ni2+, and one Sb5+ atom to form distorted OKNi2Sb trigonal pyramids that share corners with two equivalent OK2NiSb2 square pyramids, corners with three OKNi2Sb trigonal pyramids, edges with two equivalent OK2NiSb2 square pyramids, and edges with two equivalent OKNiSb2 trigonal pyramids.
DOI: 10.17188/1723091
title: Materials Data on ErTmPd2 by Materials Project

description: TmErPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Tm–Pd bond lengths are 3.00 Å. Er is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Er–Pd bond lengths are 3.00 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Er atoms.
DOI: 10.17188/1723092
title: Materials Data on BaMg4Ge3 by Materials Project

description: BaMg4Ge3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Mg and eight equivalent Ge atoms. All Ba–Mg bond lengths are 3.66 Å. All Ba–Ge bond lengths are 3.56 Å. Mg is bonded to two equivalent Ba and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing MgBa2Ge4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.83 Å) Mg–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Ba, four equivalent Mg, and one Ge atom. The Ge–Ge bond length is 2.61 Å.
DOI: 10.17188/1723093
title: Materials Data on LiNi2(SO4)3 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1723094
title: Materials Data on LiV(PO3)4 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: 10.17188/1723095
title: Materials Data on Li2FePCO7 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: 10.17188/1723096
title: Materials Data on In2O3 by Materials Project

description: In2O3 is Corundum-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. In3+ is bonded to six O2- atoms to form a mixture of distorted corner, edge, and face-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 51–72°. There are a spread of In–O bond distances ranging from 2.16–2.33 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OIn4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent In3+ atoms to form a mixture of distorted corner and edge-sharing OIn4 trigonal pyramids.
DOI: 10.6084/m9.figshare.13685087
title: Additional file 1 of tidyMicro: a pipeline for microbiome data analysis and visualization using the tidyverse in R

description: Additional file 1. Convergent model summary. Column 1: Taxa names. Column 2: Model coefficients. Column 3: β parameter estimates. Column 4: 95% profile likelihood confidence intervals for β estimates. Column 5: Z-statistics. Column 6: P-values from Wald tests on individual beta coefficients. Column 7: False discovery rate adjusted p-values. Column 8: P-values from likelihood ratio test for entire covariate (like an F-test)..
DOI: 10.6084/m9.figshare.13685090
title: Additional file 2 of tidyMicro: a pipeline for microbiome data analysis and visualization using the tidyverse in R

description: Additional file 2. Model estimates table. Column 1: Taxa names. Column 2: Model coefficients. Column 3: Estimated rate ratios from exponentiated β estimates. For models with interaction terms, the appropriate β estimates are summed before being exponentiated. Column 4: Exponentiated 95% Wald confidence intervals. For models with interaction terms, the appropriate β estimates and covariance terms are summed for the Wald intervals. Column 5: Z-statistics from β estimates. Column 6: False discovery rate adjusted p-value
DOI: 10.6084/m9.figshare.13685087.v1
title: Additional file 1 of tidyMicro: a pipeline for microbiome data analysis and visualization using the tidyverse in R

description: Additional file 1. Convergent model summary. Column 1: Taxa names. Column 2: Model coefficients. Column 3: β parameter estimates. Column 4: 95% profile likelihood confidence intervals for β estimates. Column 5: Z-statistics. Column 6: P-values from Wald tests on individual beta coefficients. Column 7: False discovery rate adjusted p-values. Column 8: P-values from likelihood ratio test for entire covariate (like an F-test)..
DOI: 10.17188/1723097
title: Materials Data on TiBe3 by Materials Project

description: Be3Ti is Frank-Kasper $\mu$ Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Be sites. In the first Be site, Be is bonded to seven Be and five Ti atoms to form a mixture of distorted face, edge, and corner-sharing BeTi5Be7 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.15–2.26 Å. There are a spread of Be–Ti bond distances ranging from 2.59–2.83 Å. In the second Be site, Be is bonded in a 12-coordinate geometry to six equivalent Be and three equivalent Ti atoms. All Be–Ti bond lengths are 2.59 Å. In the third Be site, Be is bonded to six equivalent Be and six equivalent Ti atoms to form BeTi6Be6 cuboctahedra that share corners with twelve equivalent BeTi5Be7 cuboctahedra, edges with six equivalent BeTi6Be6 cuboctahedra, and faces with eighteen equivalent BeTi5Be7 cuboctahedra. All Be–Ti bond lengths are 2.64 Å. There are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to twelve Be and four Ti atoms. There are three shorter (2.79 Å) and one longer (3.02 Å) Ti–Ti bond lengths. In the second Ti site, Ti is bonded in a 6-coordinate geometry to eighteen Be and two equivalent Ti atoms.
DOI: 10.17188/1723098
title: Materials Data on V2NiO8 by Materials Project

description: V2NiO8 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V is bonded to four O atoms to form VO4 tetrahedra that share corners with two equivalent NiO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–33°. There are a spread of V–O bond distances ranging from 1.67–1.81 Å. Ni is bonded to six O atoms to form NiO6 octahedra that share corners with four equivalent VO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.87–2.04 Å. There are five inequivalent O sites. In the first O site, O is bonded in a linear geometry to one V and one Ni atom. In the second O site, O is bonded in a single-bond geometry to one Ni atom. In the third O site, O is bonded in a single-bond geometry to one Ni atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent V atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to one V and one Ni atom.
DOI: 10.17188/1723100
title: Materials Data on Na2MnP2 by Materials Project

description: Na2MnP2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one Na2MnP2 cluster. Na1+ is bonded in a distorted single-bond geometry to one P2- atom. The Na–P bond length is 2.77 Å. Mn2+ is bonded in a linear geometry to two equivalent P2- atoms. Both Mn–P bond lengths are 2.19 Å. P2- is bonded in a linear geometry to one Na1+ and one Mn2+ atom.
DOI: 10.17188/1723102
title: Materials Data on Li6V3P8O29 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: 10.17188/1723103
title: Materials Data on BaH8(IO6)2 by Materials Project

description: BaH8(O6I)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.88–2.98 Å. There are four inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the third H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.68 Å) H–O bond length. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one H and one I atom. The O–I bond length is 1.82 Å. In the second O site, O is bonded in a water-like geometry to two equivalent Ba and two H atoms. In the third O site, O is bonded in a 2-coordinate geometry to one Ba and two equivalent I atoms. There are one shorter (2.01 Å) and one longer (2.04 Å) O–I bond lengths. In the fourth O site, O is bonded in a 3-coordinate geometry to one Ba, one H, and one I atom. The O–I bond length is 1.82 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to one Ba, one H, and one I atom. The O–I bond length is 1.96 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.94 Å. I is bonded to six O atoms to form edge-sharing IO6 octahedra.