cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1684136
title: Materials Data on Co by Materials Project

description: Co is alpha La structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to twelve Co atoms to form a mixture of corner, edge, and face-sharing CoCo12 cuboctahedra. There are six shorter (2.48 Å) and six longer (2.49 Å) Co–Co bond lengths. In the second Co site, Co is bonded to twelve Co atoms to form a mixture of corner, edge, and face-sharing CoCo12 cuboctahedra. All Co–Co bond lengths are 2.49 Å.
DOI: 10.17188/1684137
title: Materials Data on HoSnAu2 by Materials Project

description: HoAu2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Ho–Au bond lengths are 3.05 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ho and four equivalent Sn atoms. All Au–Sn bond lengths are 3.05 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1684139
title: Materials Data on Zn2Cu10Sb4S13 by Materials Project

description: Cu10Zn2Sb4S13 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to four S2- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. In the second Cu1+ site, Cu1+ is bonded to four equivalent S2- atoms to form corner-sharing CuS4 tetrahedra. All Cu–S bond lengths are 2.32 Å. In the third Cu1+ site, Cu1+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.24 Å) and one longer (2.33 Å) Cu–S bond lengths. Zn2+ is bonded in a distorted trigonal planar geometry to three S2- atoms. There are two shorter (2.30 Å) and one longer (2.39 Å) Zn–S bond lengths. Sb3+ is bonded in a distorted T-shaped geometry to three S2- atoms. There are two shorter (2.47 Å) and one longer (2.50 Å) Sb–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to four equivalent Cu1+ and two equivalent Zn2+ atoms to form corner-sharing SZn2Cu4 octahedra. In the second S2- site, S2- is bonded to two equivalent Cu1+, one Zn2+, and one Sb3+ atom to form SZnCu2Sb tetrahedra that share a cornercorner with one SZn2Cu4 octahedra and corners with nine SZnCu2Sb tetrahedra. The corner-sharing octahedral tilt angles are 49°. In the third S2- site, S2- is bonded to three Cu1+ and one Sb3+ atom to form SCu3Sb tetrahedra that share a cornercorner with one SZn2Cu4 octahedra and corners with nine SZnCu2Sb tetrahedra. The corner-sharing octahedral tilt angles are 49°.
DOI: 10.6084/m9.figshare.12295028
title: Seat enlargements in mixed-member proportional systems: evidence from the German <i>Länder</i>

description: The German mixed-member proportional (MMP) system is considered a role model worldwide. Nevertheless, it has a neglected side-effect: it may produce greatly enlarged parliaments, like the 2017 Bundestag with 111 additional seats. Thus, it is highly relevant to know under which conditions MMP systems lead to such seat enlargements. The article explores this question for the German <i>Länder</i> that have used various MMP versions and seen occasional parliamentary inflations. The analysis demonstrates that a two-stage model of party-system features and institutional factors explain enlargements under MMP systems in 156 <i>Länder</i> elections from 1947 to 2019. Concerning the party system features, enlargements are driven by high seat concentrations in single-member districts and low list-vote shares of the largest party. Institutionally, high ratios of SMD seats and full levelling of surplus seats affect parliamentary oversize. These results have important implications for MMP systems in Germany and other countries.
DOI: 10.17188/1684140
title: Materials Data on Li2V4O3F8 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.12295028.v2
title: Seat enlargements in mixed-member proportional systems: evidence from the German <i>Länder</i>

description: The German mixed-member proportional (MMP) system is considered a role model worldwide. Nevertheless, it has a neglected side-effect: it may produce greatly enlarged parliaments, like the 2017 Bundestag with 111 additional seats. Thus, it is highly relevant to know under which conditions MMP systems lead to such seat enlargements. The article explores this question for the German <i>Länder</i> that have used various MMP versions and seen occasional parliamentary inflations. The analysis demonstrates that a two-stage model of party-system features and institutional factors explain enlargements under MMP systems in 156 <i>Länder</i> elections from 1947 to 2019. Concerning the party system features, enlargements are driven by high seat concentrations in single-member districts and low list-vote shares of the largest party. Institutionally, high ratios of SMD seats and full levelling of surplus seats affect parliamentary oversize. These results have important implications for MMP systems in Germany and other countries.
DOI: 10.17188/1684141
title: Materials Data on CaZnF2 by Materials Project

description: CaF2Zn crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of one CaF2 framework and sixteen zinc molecules. In the CaF2 framework, Ca is bonded in a 6-coordinate geometry to six equivalent F atoms. All Ca–F bond lengths are 2.35 Å. F is bonded in a trigonal non-coplanar geometry to three equivalent Ca atoms.
DOI: 10.17188/1684143
title: Materials Data on Ta2CrW by Materials Project

description: Ta2WCr crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ta2WCr ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to one W and one Cr atom. The Ta–W bond length is 2.31 Å. The Ta–Cr bond length is 2.61 Å. W is bonded in a linear geometry to two equivalent Ta atoms. Cr is bonded in a linear geometry to two equivalent Ta atoms.
DOI: 10.17188/1684144
title: Materials Data on La3GaCoS7 by Materials Project

description: La3CoGaS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. La3+ is bonded in a 7-coordinate geometry to eight S2- atoms. There are a spread of La–S bond distances ranging from 2.87–3.49 Å. Co2+ is bonded to six equivalent S2- atoms to form face-sharing CoS6 octahedra. There are three shorter (2.44 Å) and three longer (2.50 Å) Co–S bond lengths. Ga3+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.24 Å) and three longer (2.29 Å) Ga–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four equivalent La3+ and two equivalent Co2+ atoms. In the second S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent La3+ and one Ga3+ atom. In the third S2- site, S2- is bonded in a tetrahedral geometry to three equivalent La3+ and one Ga3+ atom.
DOI: 10.17188/1684145
title: Materials Data on ThH6(NO5)2 by Materials Project

description: ThH6(NO5)2 crystallizes in the monoclinic C2/c space group. The structure is one-dimensional and consists of two ThH6(NO5)2 ribbons oriented in the (0, 0, 1) direction. Th4+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Th–O bond distances ranging from 2.35–2.90 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.29 Å. There are three 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 0.98 Å. In the second 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 third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Th4+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Th4+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a water-like geometry to one Th4+ and two H1+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Th4+ and one H1+ atom.
DOI: 10.17188/1684146
title: Materials Data on NaBeB by Materials Project

description: NaBeB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na1+ is bonded to four equivalent B3- atoms to form NaB4 tetrahedra that share corners with four equivalent BeB4 tetrahedra, corners with twelve equivalent NaB4 tetrahedra, and edges with six equivalent BeB4 tetrahedra. All Na–B bond lengths are 2.39 Å. Be2+ is bonded to four equivalent B3- atoms to form BeB4 tetrahedra that share corners with four equivalent NaB4 tetrahedra, corners with twelve equivalent BeB4 tetrahedra, and edges with six equivalent NaB4 tetrahedra. All Be–B bond lengths are 2.39 Å. B3- is bonded in a body-centered cubic geometry to four equivalent Na1+ and four equivalent Be2+ atoms.
DOI: 10.17188/1684147
title: Materials Data on Li3Co2NiO6 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: 10.17188/1684148
title: Materials Data on NbV3F6 by Materials Project

description: NbV2F4VF2 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one difluorovanadium molecule and one NbV2F4 sheet oriented in the (0, 0, 1) direction. In the NbV2F4 sheet, Nb is bonded in a distorted rectangular see-saw-like geometry to four F atoms. All Nb–F bond lengths are 2.15 Å. There are two inequivalent V sites. In the first V site, V is bonded in a linear geometry to two equivalent F atoms. Both V–F bond lengths are 1.96 Å. In the second V site, V is bonded in a linear geometry to two equivalent F atoms. Both V–F bond lengths are 1.96 Å. There are two inequivalent F sites. In the first F site, F is bonded in a water-like geometry to one Nb and one V atom. In the second F site, F is bonded in a water-like geometry to one Nb and one V atom.
DOI: 10.17188/1684149
title: Materials Data on AlNi3 by Materials Project

description: Ni3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent AlNi12 cuboctahedra, corners with fourteen NiAl4Ni8 cuboctahedra, edges with six equivalent AlNi12 cuboctahedra, edges with twelve NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with sixteen NiAl4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.49–2.55 Å. There are two shorter (2.51 Å) and two longer (2.53 Å) Ni–Al bond lengths. In the second Ni site, Ni is bonded to eight Ni and four equivalent Al atoms to form distorted NiAl4Ni8 cuboctahedra that share corners with four equivalent AlNi12 cuboctahedra, corners with fourteen NiAl4Ni8 cuboctahedra, edges with six equivalent AlNi12 cuboctahedra, edges with twelve NiAl4Ni8 cuboctahedra, faces with four equivalent AlNi12 cuboctahedra, and faces with sixteen NiAl4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.49–2.55 Å. There are two shorter (2.51 Å) and two longer (2.53 Å) Ni–Al bond lengths. Al is bonded to twelve Ni atoms to form AlNi12 cuboctahedra that share corners with six equivalent AlNi12 cuboctahedra, corners with twelve NiAl4Ni8 cuboctahedra, edges with eighteen NiAl4Ni8 cuboctahedra, faces with eight equivalent AlNi12 cuboctahedra, and faces with twelve NiAl4Ni8 cuboctahedra.
DOI: 10.17188/1684150
title: Materials Data on TaInRh2 by Materials Project

description: TaRh2In crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TaRh2In ribbons oriented in the (1, 0, 0) direction. Ta is bonded in a linear geometry to two equivalent Rh atoms. Both Ta–Rh bond lengths are 2.18 Å. Rh is bonded in a linear geometry to one Ta and one In atom. The Rh–In bond length is 2.80 Å. In is bonded in a linear geometry to two equivalent Rh atoms.
DOI: 10.17188/1684151
title: Materials Data on LiYb2Al by Materials Project

description: LiYb2Al 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 eight equivalent Yb atoms. All Li–Yb bond lengths are 3.28 Å. Yb is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Yb–Al bond lengths are 3.28 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1684152
title: Materials Data on K2NaAsBr6 by Materials Project

description: K2NaAsBr6 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 Br1- atoms to form KBr12 cuboctahedra that share corners with twelve equivalent KBr12 cuboctahedra, faces with six equivalent KBr12 cuboctahedra, faces with four equivalent NaBr6 octahedra, and faces with four equivalent AsBr6 octahedra. All K–Br bond lengths are 3.93 Å. Na1+ is bonded to six equivalent Br1- atoms to form NaBr6 octahedra that share corners with six equivalent AsBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Br bond lengths are 2.89 Å. As3+ is bonded to six equivalent Br1- atoms to form AsBr6 octahedra that share corners with six equivalent NaBr6 octahedra and faces with eight equivalent KBr12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–Br bond lengths are 2.66 Å. Br1- is bonded in a distorted linear geometry to four equivalent K1+, one Na1+, and one As3+ atom.
DOI: 10.17188/1684153
title: Materials Data on Fe35SiO48 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.13403753
title: Metadata record for: A multi-center cross-platform single-cell RNA sequencing reference dataset

description: This dataset contains key characteristics about the data described in the Data Descriptor A multi-center cross-platform single-cell RNA sequencing reference dataset. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.17188/1684154
title: Materials Data on PO4 by Materials Project

description: PO4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four phosphoric acid molecules. P is bonded in a tetrahedral geometry to four O atoms. All P–O bond lengths are 1.54 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one P atom. In the second O site, O is bonded in a single-bond geometry to one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a single-bond geometry to one P atom.
DOI: 10.6084/m9.figshare.13403753.v1
title: Metadata record for: A multi-center cross-platform single-cell RNA sequencing reference dataset

description: This dataset contains key characteristics about the data described in the Data Descriptor A multi-center cross-platform single-cell RNA sequencing reference dataset. <br> Contents: <br> 1. human readable metadata summary table in CSV format 2. machine readable metadata file in JSON format
DOI: 10.17188/1684155
title: Materials Data on Ho4RuBr5 by Materials Project

description: Ho4RuBr5 crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are three inequivalent Ho sites. In the first Ho site, Ho is bonded to three equivalent Ru and three Br atoms to form a mixture of corner and edge-sharing HoRu3Br3 octahedra. The corner-sharing octahedra tilt angles range from 2–15°. There are two shorter (2.81 Å) and one longer (2.83 Å) Ho–Ru bond lengths. There are one shorter (3.06 Å) and two longer (3.19 Å) Ho–Br bond lengths. In the second Ho site, Ho is bonded to one Ru and five Br atoms to form distorted HoRuBr5 octahedra that share corners with three HoRu3Br3 octahedra and edges with eight HoRuBr5 octahedra. The corner-sharing octahedra tilt angles range from 2–15°. The Ho–Ru bond length is 2.68 Å. There are a spread of Ho–Br bond distances ranging from 2.90–3.22 Å. In the third Ho site, Ho is bonded to one Ru and five Br atoms to form distorted HoRuBr5 octahedra that share a cornercorner with one HoRu3Br3 octahedra and edges with eight HoRuBr5 octahedra. The corner-sharing octahedral tilt angles are 14°. The Ho–Ru bond length is 2.70 Å. There are a spread of Ho–Br bond distances ranging from 2.92–3.19 Å. Ru is bonded to six Ho atoms to form distorted edge-sharing RuHo6 octahedra. There are four inequivalent Br sites. In the first Br site, Br is bonded in a distorted see-saw-like geometry to four Ho atoms. In the second Br site, Br is bonded in a distorted see-saw-like geometry to four Ho atoms. In the third Br site, Br is bonded in a 3-coordinate geometry to three Ho atoms. In the fourth Br site, Br is bonded in a 3-coordinate geometry to three Ho atoms.
DOI: 10.17188/1684157
title: Materials Data on NaNb2Bi2O9 by Materials Project

description: NaNb2Bi2O9 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.82 Å. Nb+4.50+ is bonded to six O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 21–33°. There are a spread of Nb–O bond distances ranging from 1.88–2.24 Å. Bi4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.91 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Nb+4.50+ atoms. In the second O2- site, O2- is bonded to two equivalent Na1+ and two equivalent Nb+4.50+ atoms to form distorted corner-sharing ONa2Nb2 tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb+4.50+ and two equivalent Bi4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, two equivalent Nb+4.50+, and one Bi4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four equivalent Bi4+ atoms.
DOI: 10.17188/1684158
title: Materials Data on La2BrClO2 by Materials Project

description: La2O2BrCl crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 4-coordinate geometry to four equivalent O2-, four equivalent Br1-, and one Cl1- atom. All La–O bond lengths are 2.39 Å. All La–Br bond lengths are 3.30 Å. The La–Cl bond length is 3.50 Å. In the second La3+ site, La3+ is bonded in a 9-coordinate geometry to four equivalent O2-, one Br1-, and four equivalent Cl1- atoms. All La–O bond lengths are 2.40 Å. The La–Br bond length is 3.36 Å. All La–Cl bond lengths are 3.24 Å. O2- is bonded to four La3+ and two equivalent Cl1- atoms to form a mixture of face, edge, and corner-sharing OLa4Cl2 tetrahedra. Both O–Cl bond lengths are 3.33 Å. Br1- is bonded in a 5-coordinate geometry to five La3+ and four equivalent Cl1- atoms. All Br–Cl bond lengths are 3.53 Å. Cl1- is bonded in a 4-coordinate geometry to five La3+, four equivalent O2-, and four equivalent Br1- atoms.
DOI: 10.17188/1684159
title: Materials Data on Cs2HgSbI6 by Materials Project

description: Cs2HgSbI6 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 HgI6 octahedra, and faces with four equivalent SbI6 octahedra. All Cs–I bond lengths are 4.38 Å. Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent SbI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.15 Å. Sb3+ is bonded to six equivalent I1- atoms to form SbI6 octahedra that share corners with six equivalent HgI6 octahedra and faces with eight equivalent CsI12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–I bond lengths are 3.04 Å. I1- is bonded to four equivalent Cs1+, one Hg1+, and one Sb3+ atom to form a mixture of distorted corner, edge, and face-sharing ICs4HgSb octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1684160
title: Materials Data on CaVCu3Se4 by Materials Project

description: CaVCu3Se4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Ca2+ is bonded to four equivalent Se2- atoms to form CaSe4 tetrahedra that share corners with four equivalent VSe4 tetrahedra and corners with twelve equivalent CuSe4 tetrahedra. All Ca–Se bond lengths are 2.76 Å. V3+ is bonded to four equivalent Se2- atoms to form VSe4 tetrahedra that share corners with four equivalent CaSe4 tetrahedra and edges with six equivalent CuSe4 tetrahedra. All V–Se bond lengths are 2.39 Å. Cu1+ is bonded to four equivalent Se2- atoms to form CuSe4 tetrahedra that share corners with four equivalent CaSe4 tetrahedra, corners with eight equivalent CuSe4 tetrahedra, and edges with two equivalent VSe4 tetrahedra. All Cu–Se bond lengths are 2.52 Å. Se2- is bonded to one Ca2+, one V3+, and three equivalent Cu1+ atoms to form a mixture of distorted edge and corner-sharing SeCaVCu3 trigonal bipyramids.