cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1655621
title: Materials Data on Li2Co3SbO8 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: 10.17188/1655622
title: Materials Data on Ti5InS8 by Materials Project

description: InTi5S8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Ti3+ sites. In the first Ti3+ site, Ti3+ is bonded to six S2- atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–49°. There are a spread of Ti–S bond distances ranging from 2.40–2.52 Å. In the second Ti3+ site, Ti3+ is bonded to six S2- atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedra tilt angles range from 47–49°. There are a spread of Ti–S bond distances ranging from 2.38–2.51 Å. In the third Ti3+ site, Ti3+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing TiS6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are a spread of Ti–S bond distances ranging from 2.44–2.47 Å. In the fourth Ti3+ site, Ti3+ is bonded to six S2- atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of Ti–S bond distances ranging from 2.41–2.53 Å. In the fifth Ti3+ site, Ti3+ is bonded to six S2- atoms to form a mixture of edge, corner, and face-sharing TiS6 octahedra. The corner-sharing octahedra tilt angles range from 48–49°. There are a spread of Ti–S bond distances ranging from 2.40–2.54 Å. In1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are two shorter (3.18 Å) and two longer (3.23 Å) In–S bond lengths. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded to five Ti3+ atoms to form distorted edge-sharing STi5 trigonal bipyramids. In the second S2- site, S2- is bonded to five Ti3+ atoms to form distorted edge-sharing STi5 trigonal bipyramids. In the third S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Ti3+ atoms. In the fourth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Ti3+ atoms. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to three Ti3+ and two equivalent In1+ atoms. In the sixth S2- site, S2- is bonded in a distorted T-shaped geometry to three Ti3+ atoms. In the seventh S2- site, S2- is bonded in a 3-coordinate geometry to three Ti3+ and two equivalent In1+ atoms. In the eighth S2- site, S2- is bonded in a distorted T-shaped geometry to three Ti3+ atoms.
DOI: 10.17188/1655623
title: Materials Data on Sr4Mn3BO10 by Materials Project

description: Sr4Mn3BO3O7 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.64–3.01 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.59–2.79 Å. There are three inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with two equivalent MnO6 octahedra and corners with two equivalent MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 9°. There are a spread of Mn–O bond distances ranging from 1.92–2.37 Å. In the second Mn3+ site, Mn3+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with two equivalent MnO6 octahedra and corners with two equivalent MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of Mn–O bond distances ranging from 1.93–2.06 Å. In the third Mn3+ site, Mn3+ is bonded in a square co-planar geometry to four O2- atoms. There is three shorter (1.92 Å) and one longer (1.93 Å) Mn–O bond length. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.40 Å) and one longer (1.41 Å) B–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two Mn3+ atoms to form a mixture of distorted edge and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two Mn3+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two equivalent Mn3+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Sr2+ and two equivalent Mn3+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to four Sr2+ and two equivalent Mn3+ atoms. In the sixth O2- site, O2- is bonded to four equivalent Sr2+ and two Mn3+ atoms to form a mixture of distorted edge and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Sr2+, one Mn3+, and one B3+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one B3+ atom.
DOI: 10.17188/1655624
title: Materials Data on HoSiPt by Materials Project

description: HoPtSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Si atoms. There are a spread of Ho–Pt bond distances ranging from 2.96–3.16 Å. There are a spread of Ho–Si bond distances ranging from 2.97–3.15 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Si atoms. There are a spread of Pt–Si bond distances ranging from 2.51–2.69 Å. Si is bonded in a 10-coordinate geometry to six equivalent Ho and four equivalent Pt atoms.
DOI: 10.17188/1655625
title: Materials Data on Sr2TaInO6 by Materials Project

description: Sr2TaInO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c 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 2.54–2.89 Å. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with six equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. All Ta–O bond lengths are 2.00 Å. In3+ is bonded to six O2- atoms to form InO6 octahedra that share corners with six equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 23–24°. There are four shorter (2.18 Å) and two longer (2.19 Å) In–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Ta5+, and one In3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one Ta5+, and one In3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, one Ta5+, and one In3+ atom.
DOI: 10.17188/1655627
title: Materials Data on V4ZnO10 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: 10.17188/1655628
title: Materials Data on Al4Re12B 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: 10.17188/1655629
title: Materials Data on K2GdCuCl6 by Materials Project

description: K2GdCuCl6 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 GdCl6 octahedra, and faces with four equivalent CuCl6 octahedra. All K–Cl bond lengths are 3.68 Å. Gd3+ is bonded to six equivalent Cl1- atoms to form GdCl6 octahedra that share corners with six equivalent CuCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Cl bond lengths are 2.66 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent GdCl6 octahedra and faces with eight equivalent KCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.53 Å. Cl1- is bonded in a distorted linear geometry to four equivalent K1+, one Gd3+, and one Cu1+ atom.
DOI: 10.17188/1655630
title: Materials Data on RbLa(SeO4)2 by Materials Project

description: RbLa(SeO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Rb–O bond distances ranging from 2.87–3.49 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.51–2.81 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.71 Å. In the second Se6+ site, Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.71 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, two equivalent La3+, and one Se6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Rb1+, one La3+, and one Se6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one La3+, and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent La3+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Se6+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Rb1+, one La3+, and one Se6+ atom.
DOI: 10.17188/1655633
title: Materials Data on Nd4Fe4As4O3F by Materials Project

description: Nd4Fe4As4O3F crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Nd+2.75+ is bonded in a 4-coordinate geometry to four equivalent As3-, three O2-, and one F1- atom. There are two shorter (3.25 Å) and two longer (3.33 Å) Nd–As bond lengths. There are one shorter (2.32 Å) and two longer (2.39 Å) Nd–O bond lengths. The Nd–F bond length is 2.46 Å. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. There are two shorter (2.62 Å) and two longer (2.63 Å) Fe–As bond lengths. In the second Fe2+ site, Fe2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.62 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Nd+2.75+ and four Fe2+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Nd+2.75+ atoms to form ONd4 tetrahedra that share corners with four equivalent FNd4 tetrahedra and edges with four equivalent ONd4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nd+2.75+ atoms to form distorted ONd4 tetrahedra that share corners with four equivalent ONd4 tetrahedra, edges with two equivalent ONd4 tetrahedra, and edges with two equivalent FNd4 tetrahedra. F1- is bonded to four equivalent Nd+2.75+ atoms to form distorted FNd4 tetrahedra that share corners with four equivalent ONd4 tetrahedra and edges with four equivalent ONd4 tetrahedra.
DOI: 10.17188/1655634
title: Materials Data on Er(NiB)2 by Materials Project

description: Er(NiB)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Er3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are a spread of Er–B bond distances ranging from 2.69–2.89 Å. Ni+1.50+ is bonded in a 4-coordinate geometry to four equivalent B3- atoms. There are a spread of Ni–B bond distances ranging from 2.02–2.07 Å. B3- is bonded in a 8-coordinate geometry to three equivalent Er3+, four equivalent Ni+1.50+, and one B3- atom. The B–B bond length is 1.74 Å.
DOI: 10.17188/1655635
title: Materials Data on Fe3P2O11 by Materials Project

description: Fe3P2O11 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share a cornercorner with one FeO6 octahedra, corners with four equivalent PO4 tetrahedra, and edges with two FeO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Fe–O bond distances ranging from 1.86–2.21 Å. In the second Fe site, Fe is bonded to six O atoms to form FeO6 octahedra that share corners with four equivalent PO4 tetrahedra and edges with two equivalent FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.86–2.17 Å. P is bonded to four O atoms to form PO4 tetrahedra that share corners with six FeO6 octahedra. The corner-sharing octahedra tilt angles range from 43–57°. There are a spread of P–O bond distances ranging from 1.54–1.57 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Fe and one P atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Fe and one P atom. In the third O site, O is bonded in a 3-coordinate geometry to two Fe and one P atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent Fe atoms. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Fe and one P atom. In the sixth O site, O is bonded in a water-like geometry to two Fe atoms.
DOI: 10.17188/1655636
title: Materials Data on MgPHO11 by Materials Project

description: MgO6MgP2(HO8)2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of four magnesium;dihydroxide;tetrahydrate molecules and two MgP2(HO8)2 sheets oriented in the (0, 1, 0) direction. In each MgP2(HO8)2 sheet, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.06–2.25 Å. P is bonded in a tetrahedral geometry to four O atoms. There are a spread of P–O bond distances ranging from 1.49–1.78 Å. There are two inequivalent H sites. In the first H site, H is bonded in a linear geometry to two equivalent O atoms. Both H–O bond lengths are 1.20 Å. In the second H site, H is bonded in a linear geometry to two equivalent O atoms. Both H–O bond lengths are 1.23 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Mg, one P, and one H atom. In the second O site, O is bonded in a bent 120 degrees geometry to two O atoms. There is one shorter (1.27 Å) and one longer (1.32 Å) O–O bond length. 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 distorted water-like geometry to one Mg and one O atom. The O–O bond length is 1.35 Å. In the fifth O site, O is bonded in a single-bond geometry to one O atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Mg and one O atom. In the seventh O site, O is bonded in a distorted water-like geometry to one P and one O atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one P and one H atom.
DOI: 10.17188/1655637
title: Materials Data on Nb2CrMo2 by Materials Project

description: NbMoNbCrMo crystallizes in the orthorhombic Fmm2 space group. The structure is one-dimensional and consists of four NbCrMo ribbons oriented in the (1, 0, 0) direction and four NbMo ribbons oriented in the (1, 0, 0) direction. In each NbCrMo ribbon, Nb is bonded in a 8-coordinate geometry to two equivalent Cr atoms. Both Nb–Cr bond lengths are 2.66 Å. Mo is bonded in a 2-coordinate geometry to two equivalent Cr atoms. Both Mo–Cr bond lengths are 2.56 Å. Cr is bonded in a 2-coordinate geometry to two equivalent Nb and two equivalent Mo atoms. In each NbMo ribbon, Nb is bonded in a 10-coordinate geometry to two equivalent Mo atoms. Both Nb–Mo bond lengths are 2.82 Å. Mo is bonded in a 8-coordinate geometry to two equivalent Nb atoms.
DOI: 10.17188/1655639
title: Materials Data on Fe(SbO3)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: 10.17188/1655640
title: Materials Data on Ba2CdAg by Materials Project

description: Ba2AgCd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2AgCd ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to one Ag and one Cd atom. The Ba–Ag bond length is 3.33 Å. The Ba–Cd bond length is 3.80 Å. Ag is bonded in a linear geometry to two equivalent Ba atoms. Cd is bonded in a linear geometry to two equivalent Ba atoms.
DOI: 10.17188/1655642
title: Materials Data on Li3MnV(PO4)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: 10.17188/1655643
title: Materials Data on UPt4Au by Materials Project

description: UPt4Au is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U6+ is bonded in a 12-coordinate geometry to twelve equivalent Pt2- atoms. All U–Pt bond lengths are 3.13 Å. Pt2- is bonded to three equivalent U6+, six equivalent Pt2-, and three equivalent Au2+ atoms to form a mixture of corner, edge, and face-sharing PtU3Pt6Au3 cuboctahedra. There are three shorter (2.66 Å) and three longer (2.68 Å) Pt–Pt bond lengths. All Pt–Au bond lengths are 3.13 Å. Au2+ is bonded in a 12-coordinate geometry to twelve equivalent Pt2- atoms.
DOI: 10.17188/1655645
title: Materials Data on Li3Mn4(BO3)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: 10.3886/e130422v1-74220
title: COVID-19 Vaccine Hesitancy Surveys

description: Assessing the prevalence of COVID-19 vaccine hesitancy before and during vaccine rollout in the United States, China, Taiwan, Indonesia, India, and Malaysia. Cross-sectional surveys were administered starting in March 2020 in the United States and China. Additional surveys were administered in Taiwan, Indonesia, India, and Malaysia starting in August 2020. The information in this deposit includes data collected in March, June, August, and November 2020, along with a codebook explaining how each of the variables in the datasets were derived from each survey.
DOI: 10.17188/1655646
title: Materials Data on Ba2SrNp by Materials Project

description: Ba2SrNp is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to four equivalent Sr and four equivalent Np atoms. All Ba–Sr bond lengths are 4.04 Å. All Ba–Np bond lengths are 4.04 Å. Sr is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. Np is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.
DOI: 10.17188/1655647
title: Materials Data on Ba6LiNb2Ir(ClO6)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: 10.3886/e112401v1-74221
title: Replication data for: The Evolution of Cooperation in Infinitely Repeated Games: Experimental Evidence

description: A usual criticism of the theory of infinitely repeated games is that it does not provide sharp predictions since there may be a multiplicity of equilibria. To address this issue, we present experimental evidence on the evolution of cooperation in infinitely repeated prisoner's dilemma games as subjects gain experience. We show that cooperation may prevail in infinitely repeated games, but the conditions under which this occurs are more stringent than the subgame perfect conditions usually considered or even a condition based on risk dominance. (JEL C71, C73)
DOI: 10.3886/e112951v1-74240
title: Replication data for: Measuring Uncertainty

description: This paper exploits a data rich environment to provide direct econometric estimates of time-varying macroeconomic uncertainty. Our estimates display significant independent variations from popular uncertainty proxies, suggesting that much of the variation in the proxies is not driven by uncertainty. Quantitatively important uncertainty episodes appear far more infrequently than indicated by popular uncertainty proxies, but when they do occur, they are larger, more persistent, and are more correlated with real activity. Our estimates provide a benchmark to evaluate theories for which uncertainty shocks play a role in business cycles. (JEL C53, D81, E32, G12, G35, L25)
DOI: 10.3886/e131261v1
title: Co-curricular training survey sample

description: This study is divided into three sequential steps: (1) piloted a benchmark survey to determine their strengths and weaknesses in presentation skills; (2) implemented pre-and post-course evaluation survey, which recorded the students’ improvement in oral communication skills after involvement in co-curricular training activities; and (3) conducted exit surveys to record their feedback related to the social learning experience and efficacy of the co-curricular activities
DOI: 10.17188/1655649
title: Materials Data on LiP3(WO6)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