cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1689841
title: Materials Data on MgSi2 by Materials Project

description: MgSi2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to three Mg and ten Si atoms. There are two shorter (2.78 Å) and one longer (3.04 Å) Mg–Mg bond lengths. There are a spread of Mg–Si bond distances ranging from 2.87–2.94 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and twelve Si atoms. Both Mg–Mg bond lengths are 2.78 Å. There are a spread of Mg–Si bond distances ranging from 2.91–3.01 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to three Mg and ten Si atoms. The Mg–Mg bond length is 3.04 Å. There are a spread of Mg–Si bond distances ranging from 2.87–2.93 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and twelve Si atoms. There are a spread of Mg–Si bond distances ranging from 2.90–3.02 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 11-coordinate geometry to six Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.64–2.81 Å. In the second Si site, Si is bonded in a 11-coordinate geometry to six Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.51–2.78 Å. In the third Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms. There are a spread of Si–Si bond distances ranging from 2.50–2.81 Å. In the fourth Si site, Si is bonded in a 11-coordinate geometry to six Mg and five Si atoms. There are a spread of Si–Si bond distances ranging from 2.51–2.79 Å. In the fifth Si site, Si is bonded in a 10-coordinate geometry to four Mg and six Si atoms. The Si–Si bond length is 2.64 Å. In the sixth Si site, Si is bonded in a 11-coordinate geometry to six Mg and five Si atoms. The Si–Si bond length is 2.60 Å. In the seventh Si site, Si is bonded in a 11-coordinate geometry to six Mg and five Si atoms. In the eighth Si site, Si is bonded in a 11-coordinate geometry to six Mg and five Si atoms.
DOI: 10.17188/1689842
title: Materials Data on K2TiTlF6 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: 10.17188/1689843
title: Materials Data on ZnBi6P2(O7F)2 by Materials Project

description: ZnBi6P2(O7F)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form distorted ZnO6 octahedra that share corners with four equivalent PO3F tetrahedra. There are a spread of Zn–O bond distances ranging from 1.87–2.68 Å. There are three inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to seven O2- and one F1- atom. There are a spread of Bi–O bond distances ranging from 2.24–2.95 Å. The Bi–F bond length is 2.97 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.24–2.81 Å. In the third Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.20–2.82 Å. P5+ is bonded to three O2- and one F1- atom to form PO3F tetrahedra that share corners with two equivalent ZnO6 octahedra. The corner-sharing octahedra tilt angles range from 22–58°. There is one shorter (1.52 Å) and two longer (1.53 Å) P–O bond length. The P–F bond length is 1.63 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the second O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the third O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the fourth O2- site, O2- is bonded to four Bi3+ atoms to form a mixture of distorted corner and edge-sharing OBi4 tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Zn2+, one Bi3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Zn2+ and two Bi3+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Zn2+, two Bi3+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Bi3+ and one P5+ atom. F1- is bonded in a single-bond geometry to one Bi3+ and one P5+ atom.
DOI: 10.17188/1689844
title: Materials Data on Na2SiO8 by Materials Project

description: Na2SiO8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.25–2.80 Å. In the second Na site, Na is bonded in a 3-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.33–2.82 Å. Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.57–1.83 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one Na, one Si, and one O atom. The O–O bond length is 1.36 Å. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Si and one O atom. The O–O bond length is 1.33 Å. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one Si atom. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent Na and one Si atom. In the fifth O site, O is bonded in a 3-coordinate geometry to two Na and two O atoms. There is one shorter (1.24 Å) and one longer (2.02 Å) O–O bond length. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Na and one O atom. In the seventh O site, O is bonded in a 2-coordinate geometry to two Na and one O atom. In the eighth O site, O is bonded in a 4-coordinate geometry to two Na and two O atoms.
DOI: 10.17188/1689845
title: Materials Data on Ti5Fe7O18 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: 10.17188/1689846
title: Materials Data on Tb2As3Au by Materials Project

description: (TbAs)2AuAs crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of two arsanylidyneterbium molecules, one arsenic molecule, and one gold molecule.
DOI: 10.17188/1689847
title: Materials Data on LiCoCuF6 by Materials Project

description: LiCoCuF6 is beta Vanadium nitride-derived structured and crystallizes in the tetragonal P4_2nm space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with four equivalent CoF6 octahedra, corners with four equivalent CuF6 octahedra, an edgeedge with one CoF6 octahedra, and an edgeedge with one CuF6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Li–F bond distances ranging from 1.98–2.13 Å. Co3+ is bonded to six F1- atoms to form CoF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent CuF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one CuF6 octahedra. The corner-sharing octahedra tilt angles range from 46–50°. There are a spread of Co–F bond distances ranging from 1.87–2.02 Å. Cu2+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with four equivalent LiF6 octahedra, corners with four equivalent CoF6 octahedra, an edgeedge with one LiF6 octahedra, and an edgeedge with one CoF6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Cu–F bond distances ranging from 1.92–2.11 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Co3+, and one Cu2+ atom. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Co3+, and one Cu2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+, one Co3+, and one Cu2+ atom.
DOI: 10.17188/1689848
title: Materials Data on CrFeO3 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: 10.17188/1689849
title: Materials Data on Tb5Tl3 by Materials Project

description: Tb5Tl3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to six Tl atoms to form distorted corner-sharing TbTl6 octahedra. The corner-sharing octahedra tilt angles range from 0–50°. There are four shorter (3.16 Å) and two longer (3.64 Å) Tb–Tl bond lengths. In the second Tb site, Tb is bonded in a 5-coordinate geometry to five Tl atoms. There are a spread of Tb–Tl bond distances ranging from 3.21–3.36 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 10-coordinate geometry to ten Tb atoms. In the second Tl site, Tl is bonded in a 9-coordinate geometry to eight Tb and one Tl atom. The Tl–Tl bond length is 3.06 Å.
DOI: 10.17188/1689850
title: Materials Data on ErUTe4 by Materials Project

description: UErTe4 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of U–Te bond distances ranging from 3.06–3.21 Å. Er3+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Er–Te bond distances ranging from 3.05–3.25 Å. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing TeEr2U2 trigonal pyramids. In the second Te2- site, Te2- is bonded to two equivalent U5+ and two equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing TeEr2U2 trigonal pyramids. In the third Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent U5+ and two equivalent Er3+ atoms.
DOI: 10.17188/1689851
title: Materials Data on SrLaPt2 by Materials Project

description: SrLaPt2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two SrLaPt2 ribbons oriented in the (1, 0, 0) direction. Sr2+ is bonded in a linear geometry to two equivalent Pt2- atoms. Both Sr–Pt bond lengths are 3.14 Å. La2+ is bonded in a linear geometry to two equivalent Pt2- atoms. Both La–Pt bond lengths are 2.44 Å. Pt2- is bonded in a linear geometry to one Sr2+ and one La2+ atom.
DOI: 10.17188/1689852
title: Materials Data on Li2ScP2HO8 by Materials Project

description: Li2ScP2HO8 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.48 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.99–2.40 Å. Sc3+ is bonded to six O2- atoms to form ScO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Sc–O bond distances ranging from 2.05–2.20 Å. 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 three equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 26–52°. There are a spread of P–O bond distances ranging from 1.53–1.60 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 23–53°. There are a spread of P–O bond distances ranging from 1.54–1.56 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.04 Å) and one longer (1.54 Å) H–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Sc3+, and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Sc3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Li1+, one P5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two Li1+, one P5+, and one H1+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Sc3+, and one P5+ atom. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Sc3+, and one P5+ atom. In the seventh O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Sc3+, and one P5+ atom. In the eighth O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Sc3+, and one P5+ atom.
DOI: 10.5281/zenodo.4486338
title: News Media Coverage of Conflict and Cooperation Dynamics of Water Events in the Lancang-Mekong River Basin Datasets

description: This datasets contains all the newspaper articles that pertaining to conflict/cooperation water events occurred in Lancang-Mekong River basin
DOI: 10.17188/1689853
title: Materials Data on Tm3B7W by Materials Project

description: Tm3WB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tm–B bond distances ranging from 2.62–2.71 Å. In the second Tm3+ site, Tm3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tm–B bond distances ranging from 2.62–3.31 Å. W6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are a spread of W–B bond distances ranging from 2.33–2.36 Å. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Tm3+ and three B+2.14- atoms. There is one shorter (1.81 Å) and two longer (1.96 Å) B–B bond length. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Tm3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.91 Å) and one longer (1.95 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent W6+, and three B+2.14- atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Tm3+, two equivalent W6+, and two equivalent B+2.14- atoms.
DOI: 10.17188/1689854
title: Materials Data on Hg3N2Cl8O by Materials Project

description: Hg3OCl8N2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional and consists of four ammonia molecules and one Hg3OCl8 framework. In the Hg3OCl8 framework, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing HgCl6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are two shorter (2.39 Å) and four longer (2.87 Å) Hg–Cl bond lengths. In the second Hg2+ site, Hg2+ is bonded to six Cl1- atoms to form a mixture of edge and corner-sharing HgCl6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are a spread of Hg–Cl bond distances ranging from 2.40–2.97 Å. O2- is bonded in a body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.10 Å) and four longer (3.23 Å) O–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ and two equivalent O2- atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Hg2+ and two equivalent O2- atoms. In the fourth Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to four Hg2+ atoms.
DOI: 10.17188/1689855
title: Materials Data on Na2GaHgCl6 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: 10.17188/1689856
title: Materials Data on Sr2LiO12 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: 10.17188/1689857
title: Materials Data on DyAg3 by Materials Project

description: Ag3Dy is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded to twelve Ag atoms to form DyAg12 cuboctahedra that share corners with four equivalent DyAg12 cuboctahedra, corners with twenty-four AgDy4Ag4 cuboctahedra, edges with eight equivalent DyAg12 cuboctahedra, edges with eight equivalent AgDy4Ag4 cuboctahedra, faces with four equivalent DyAg12 cuboctahedra, and faces with six equivalent AgDy4Ag8 cuboctahedra. There are eight shorter (3.06 Å) and four longer (3.13 Å) Dy–Ag bond lengths. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded to four equivalent Dy and four equivalent Ag atoms to form distorted AgDy4Ag4 cuboctahedra that share corners with eight equivalent DyAg12 cuboctahedra, corners with sixteen AgDy4Ag4 cuboctahedra, edges with four equivalent DyAg12 cuboctahedra, edges with sixteen AgDy4Ag4 cuboctahedra, and faces with six equivalent AgDy4Ag4 cuboctahedra. All Ag–Ag bond lengths are 3.06 Å. In the second Ag site, Ag is bonded to four equivalent Dy and eight equivalent Ag atoms to form distorted AgDy4Ag8 cuboctahedra that share corners with eight equivalent DyAg12 cuboctahedra, corners with twenty AgDy4Ag4 cuboctahedra, edges with sixteen AgDy4Ag4 cuboctahedra, faces with four equivalent AgDy4Ag8 cuboctahedra, and faces with six equivalent DyAg12 cuboctahedra.
DOI: 10.17188/1689858
title: Materials Data on AlTl2F5 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: 10.17188/1689859
title: Materials Data on Tm2AgSb3 by Materials Project

description: (TmSb)2AgSb crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one antimony molecule, one silver molecule, and two TmSb clusters. In each TmSb cluster, Tm3+ is bonded in a single-bond geometry to one Sb+2.33- atom. The Tm–Sb bond length is 2.61 Å. Sb+2.33- is bonded in a single-bond geometry to one Tm3+ atom.
DOI: 10.17188/1689860
title: Materials Data on Ba2GaSbSe5 by Materials Project

description: Ba2GaSbSe5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.45–3.56 Å. Ga3+ is bonded to four Se2- atoms to form GaSe4 tetrahedra that share corners with three equivalent SbSe6 octahedra and an edgeedge with one SbSe6 octahedra. The corner-sharing octahedra tilt angles range from 7–12°. There are a spread of Ga–Se bond distances ranging from 2.38–2.47 Å. Sb3+ is bonded to six Se2- atoms to form distorted SbSe6 octahedra that share corners with three equivalent GaSe4 tetrahedra, edges with two equivalent SbSe6 octahedra, and an edgeedge with one GaSe4 tetrahedra. There are a spread of Sb–Se bond distances ranging from 2.62–3.38 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Ba2+ and one Ga3+ atom. In the second Se2- site, Se2- is bonded in a 5-coordinate geometry to two equivalent Ba2+, one Ga3+, and two equivalent Sb3+ atoms. In the third Se2- site, Se2- is bonded to four equivalent Ba2+ and one Sb3+ atom to form distorted corner-sharing SeBa4Sb square pyramids. In the fourth Se2- site, Se2- is bonded in a 1-coordinate geometry to four equivalent Ba2+, one Ga3+, and one Sb3+ atom.
DOI: 10.17188/1689861
title: Materials Data on Li3Co2P2(O4F)2 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.17188/1690445
title: Materials Data on Eu2VO4 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: 10.17188/1690446
title: Materials Data on Fe3O4 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: 10.17188/1690447
title: Materials Data on Nd3(Al3Os)4 by Materials Project

description: Nd3(OsAl3)4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to four equivalent Os and eleven Al atoms. All Nd–Os bond lengths are 3.41 Å. There are a spread of Nd–Al bond distances ranging from 2.98–3.25 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded in a body-centered cubic geometry to eight Al atoms. There are two shorter (2.42 Å) and six longer (2.62 Å) Os–Al bond lengths. In the second Os site, Os is bonded in a 12-coordinate geometry to four equivalent Nd and eight Al atoms. There are a spread of Os–Al bond distances ranging from 2.58–2.71 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Nd and three equivalent Os atoms. In the second Al site, Al is bonded in a 3-coordinate geometry to three equivalent Nd and three Os atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Nd and two equivalent Os atoms. In the fourth Al site, Al is bonded to three equivalent Nd and two equivalent Os atoms to form distorted corner-sharing AlNd3Os2 trigonal bipyramids.
DOI: 10.17188/1690448
title: Materials Data on CoH8(IO5)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