cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1676858
title: Materials Data on YbV4O8 by Materials Project

description: YbV4O8 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Yb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Yb–O bond distances ranging from 2.23–2.96 Å. There are four inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent VO6 octahedra and corners with two equivalent VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–59°. There are a spread of V–O bond distances ranging from 1.81–2.02 Å. In the second V+3.50+ site, V+3.50+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four VO4 tetrahedra, corners with two equivalent VO5 trigonal bipyramids, an edgeedge with one VO6 octahedra, and an edgeedge with one VO5 trigonal bipyramid. There are a spread of V–O bond distances ranging from 1.99–2.13 Å. In the third V+3.50+ site, V+3.50+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one VO6 octahedra, corners with two equivalent VO4 tetrahedra, and a cornercorner with one VO5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. There are a spread of V–O bond distances ranging from 1.70–1.79 Å. In the fourth V+3.50+ site, V+3.50+ is bonded to five O2- atoms to form VO5 trigonal bipyramids that share corners with two equivalent VO6 octahedra, a cornercorner with one VO4 tetrahedra, an edgeedge with one VO6 octahedra, and edges with two equivalent VO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 16–59°. There are a spread of V–O bond distances ranging from 1.91–2.17 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Yb2+ and two V+3.50+ atoms. In the second O2- site, O2- is bonded in a T-shaped geometry to three V+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Yb2+ and two V+3.50+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two V+3.50+ atoms. In the fifth O2- site, O2- is bonded to one Yb2+ and three V+3.50+ atoms to form a mixture of distorted edge and corner-sharing OYbV3 tetrahedra. In the sixth O2- site, O2- is bonded to one Yb2+ and three V+3.50+ atoms to form a mixture of distorted edge and corner-sharing OYbV3 trigonal pyramids. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Yb2+ and two V+3.50+ atoms. In the eighth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Yb2+ and two V+3.50+ atoms.
DOI: 10.17188/1676859
title: Materials Data on Li3Mn2C3O9F 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: 10.17188/1676860
title: Materials Data on Sr2TaFeO6 by Materials Project

description: Sr2FeTaO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent TaO6 octahedra, and faces with four equivalent FeO6 octahedra. All Sr–O bond lengths are 2.84 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 1.99 Å. Fe3+ is bonded to six equivalent O2- atoms to form FeO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–O bond lengths are 2.02 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one Ta5+, and one Fe3+ atom.
DOI: 10.17188/1676861
title: Materials Data on S3N2O3F by Materials Project

description: (NS)2SO3F crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two 1,3,5,7,2,4,6,8-tetrathiatetrazocane molecules and four SO3F clusters. In each SO3F cluster, S+3.33+ is bonded in a tetrahedral geometry to three O2- and one F1- atom. There is two shorter (1.45 Å) and one longer (1.46 Å) S–O bond length. The S–F bond length is 1.66 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S+3.33+ atom. F1- is bonded in a single-bond geometry to one S+3.33+ atom.
DOI: 10.17188/1676862
title: Materials Data on TiCdRh2 by Materials Project

description: TiRh2Cd crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two TiRh2Cd ribbons oriented in the (1, 0, 0) direction. Ti is bonded in a linear geometry to two equivalent Rh atoms. Both Ti–Rh bond lengths are 2.07 Å. Rh is bonded in a linear geometry to one Ti and one Cd atom. The Rh–Cd bond length is 2.78 Å. Cd is bonded in a linear geometry to two equivalent Rh atoms.
DOI: 10.17188/1676863
title: Materials Data on Li4VP2O9 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: 10.17188/1676864
title: Materials Data on CoN5Cl3 by Materials Project

description: CoN5Cl3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four CoN5Cl3 ribbons oriented in the (1, 0, 0) direction. Co2+ is bonded in a distorted tetrahedral geometry to four N+0.20+ atoms. There are a spread of Co–N bond distances ranging from 1.62–1.89 Å. There are four inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a water-like geometry to two equivalent Cl1- atoms. Both N–Cl bond lengths are 1.71 Å. In the third N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Co2+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.45 Å. In the fourth N+0.20+ site, N+0.20+ is bonded in a distorted bent 120 degrees geometry to one Co2+ and one Cl1- atom. The N–Cl bond length is 1.54 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two N+0.20+ atoms.
DOI: 10.17188/1676865
title: Materials Data on Zr5TePb3 by Materials Project

description: Zr5Pb3Te crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 6-coordinate geometry to six equivalent Pb atoms. All Zr–Pb bond lengths are 3.17 Å. In the second Zr site, Zr is bonded to five equivalent Pb and two equivalent Te atoms to form a mixture of distorted face, edge, and corner-sharing ZrTe2Pb5 pentagonal bipyramids. There are a spread of Zr–Pb bond distances ranging from 2.99–3.22 Å. Both Zr–Te bond lengths are 2.94 Å. Pb is bonded in a 9-coordinate geometry to nine Zr atoms. Te is bonded to six equivalent Zr atoms to form distorted face-sharing TeZr6 octahedra.
DOI: 10.17188/1676866
title: Materials Data on KCa2Nb3O10 by Materials Project

description: KCa2Nb3O10 crystallizes in the monoclinic P2_1 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 2.82–2.85 Å. There are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ca–O bond distances ranging from 2.41–2.66 Å. In the second Ca2+ site, Ca2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ca–O bond distances ranging from 2.43–2.87 Å. There are three inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 17–33°. There are a spread of Nb–O bond distances ranging from 1.94–2.17 Å. In the second Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.80–2.42 Å. In the third Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.80–2.41 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Nb5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Nb5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+ and two Nb5+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two Nb5+ atoms. In the fifth O2- site, O2- is bonded to two equivalent Ca2+ and two Nb5+ atoms to form distorted corner-sharing OCa2Nb2 tetrahedra. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+ and two equivalent Nb5+ atoms. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to two Ca2+ and two equivalent Nb5+ atoms. In the eighth O2- site, O2- is bonded in a distorted linear geometry to two equivalent Ca2+ and two Nb5+ atoms. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Nb5+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two Ca2+ and two equivalent Nb5+ atoms.
DOI: 10.17188/1676869
title: Materials Data on Cr2InPd2 by Materials Project

description: Cr2Pd2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cr is bonded in a 6-coordinate geometry to six equivalent Pd atoms. There are two shorter (2.66 Å) and four longer (2.71 Å) Cr–Pd bond lengths. Pd is bonded in a 8-coordinate geometry to six equivalent Cr and two equivalent In atoms. Both Pd–In bond lengths are 2.82 Å. In is bonded in a distorted square co-planar geometry to four equivalent Pd atoms.
DOI: 10.17188/1676870
title: Materials Data on Ga4H12C15O31 by Materials Project

description: (GaH3(CO2)3)8(CO2)6O2 crystallizes in the cubic Im-3 space group. The structure is three-dimensional and consists of six carbon dioxide molecules, two water molecules, and one GaH3(CO2)3 framework. In the GaH3(CO2)3 framework, Ga3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ga–O bond lengths are 1.99 Å. C+2.53+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C+2.53+ atom. O2- is bonded in a bent 120 degrees geometry to one Ga3+ and one C+2.53+ atom.
DOI: 10.17188/1676871
title: Materials Data on CaLaCu2 by Materials Project

description: CaLaCu2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two CaLaCu2 ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to two equivalent Cu atoms. Both Ca–Cu bond lengths are 2.79 Å. La is bonded in a linear geometry to two equivalent Cu atoms. Both La–Cu bond lengths are 2.61 Å. Cu is bonded in a linear geometry to one Ca and one La atom.
DOI: 10.17188/1676872
title: Materials Data on EuCO4 by Materials Project

description: EuCO4 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Eu is bonded in a 2-coordinate geometry to ten O atoms. There are a spread of Eu–O bond distances ranging from 2.22–2.76 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.30 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to two equivalent Eu atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Eu and one C atom. In the third O site, O is bonded in a single-bond geometry to three equivalent Eu and one C atom. In the fourth O site, O is bonded in a single-bond geometry to three equivalent Eu and one C atom.
DOI: 10.17188/1676873
title: Materials Data on PPd4 by Materials Project

description: Pd4P crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Pd sites. In the first Pd site, Pd is bonded in a 1-coordinate geometry to four equivalent Pd and one P atom. There are two shorter (3.00 Å) and two longer (3.19 Å) Pd–Pd bond lengths. The Pd–P bond length is 2.31 Å. In the second Pd site, Pd is bonded in a distorted single-bond geometry to two equivalent Pd and one P atom. Both Pd–Pd bond lengths are 2.95 Å. The Pd–P bond length is 2.33 Å. In the third Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and two P atoms. Both Pd–Pd bond lengths are 2.86 Å. There are one shorter (2.29 Å) and one longer (2.30 Å) Pd–P bond lengths. In the fourth Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and two P atoms. Both Pd–Pd bond lengths are 3.00 Å. There are one shorter (2.30 Å) and one longer (2.32 Å) Pd–P bond lengths. In the fifth Pd site, Pd is bonded in a 1-coordinate geometry to eleven Pd and two P atoms. There are a spread of Pd–Pd bond distances ranging from 2.84–3.03 Å. There are one shorter (2.37 Å) and one longer (2.68 Å) Pd–P bond lengths. In the sixth Pd site, Pd is bonded in a 1-coordinate geometry to two equivalent Pd and two P atoms. There are one shorter (2.34 Å) and one longer (2.68 Å) Pd–P bond lengths. In the seventh Pd site, Pd is bonded in a 2-coordinate geometry to one Pd and two P atoms. There are one shorter (2.33 Å) and one longer (2.39 Å) Pd–P bond lengths. In the eighth Pd site, Pd is bonded in a 2-coordinate geometry to two equivalent Pd and three P atoms. There are a spread of Pd–P bond distances ranging from 2.33–2.65 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 6-coordinate geometry to eight Pd atoms. In the second P site, P is bonded in a 6-coordinate geometry to eight Pd atoms. In the third P site, P is bonded in a 6-coordinate geometry to eight Pd atoms.
DOI: 10.17188/1676874
title: Materials Data on Li2CrP2O7 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: 10.17188/1676875
title: Materials Data on CaDyZn2 by Materials Project

description: CaDyZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Ca–Zn bond lengths are 3.12 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Dy–Zn bond lengths are 3.12 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Dy atoms.
DOI: 10.17188/1676876
title: Materials Data on K4NiP6O25 by Materials Project

description: K4P6O19NiO6 crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional and consists of four NiO6 clusters and one K4P6O19 framework. In each NiO6 cluster, Ni is bonded in an octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.80–1.97 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to 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 K4P6O19 framework, there are two inequivalent K sites. In the first K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.75–3.16 Å. In the second K site, K is bonded to six O atoms to form KO6 octahedra that share a cornercorner with one KO6 octahedra and corners with five PO4 tetrahedra. The corner-sharing octahedral tilt angles are 46°. There are a spread of K–O bond distances ranging from 2.64–2.86 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 a cornercorner with one KO6 octahedra and corners with two equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. There is two shorter (1.49 Å) and two longer (1.65 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with two equivalent KO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 45–62°. There are a spread of P–O bond distances ranging from 1.50–1.63 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K atoms. In the second O site, O is bonded in a bent 120 degrees geometry to one K and two P atoms. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent P atoms. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one P atom. In the fifth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one K and one P atom. In the seventh O site, O is bonded in a distorted single-bond geometry to two K and one P atom.
DOI: 10.17188/1676877
title: Materials Data on Pm2CdPb by Materials Project

description: Pm2CdPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Pb atoms. All Pm–Cd bond lengths are 3.35 Å. All Pm–Pb bond lengths are 3.35 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1676878
title: Materials Data on Ge6C4NO13 by Materials Project

description: CC3NGe6O13 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four 1-azatricyclo[1.1.0.0^{2,4}]butane molecules; four methane molecules; and one Ge6O13 framework. In the Ge6O13 framework, there are six inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.78 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two GeO4 tetrahedra and corners with two equivalent GeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.74–1.78 Å. In the third Ge4+ site, Ge4+ is bonded to five O2- atoms to form corner-sharing GeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.79–2.06 Å. In the fourth Ge4+ site, Ge4+ is bonded to four O2- atoms to form corner-sharing GeO4 tetrahedra. There are a spread of Ge–O bond distances ranging from 1.75–1.78 Å. In the fifth Ge4+ site, Ge4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Ge–O bond distances ranging from 1.76–2.43 Å. In the sixth Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two GeO4 tetrahedra and corners with two equivalent GeO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.75–1.79 Å. There are thirteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Ge4+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to three Ge4+ atoms. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the twelfth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms. In the thirteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Ge4+ atoms.
DOI: 10.17188/1676879
title: Materials Data on Nd2Ge3Pd by Materials Project

description: Nd2PdGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to two equivalent Pd and ten Ge atoms to form a mixture of edge and face-sharing NdGe10Pd2 cuboctahedra. Both Nd–Pd bond lengths are 3.24 Å. There are a spread of Nd–Ge bond distances ranging from 3.24–3.29 Å. In the second Nd site, Nd is bonded to four equivalent Pd and eight Ge atoms to form a mixture of edge and face-sharing NdGe8Pd4 cuboctahedra. All Nd–Pd bond lengths are 3.27 Å. There are a spread of Nd–Ge bond distances ranging from 3.20–3.25 Å. Pd is bonded in a 3-coordinate geometry to six Nd and three Ge atoms. There are one shorter (2.45 Å) and two longer (2.47 Å) Pd–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are one shorter (2.49 Å) and two longer (2.52 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Nd, two equivalent Pd, and one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Pd, and two equivalent Ge atoms.
DOI: 10.17188/1676880
title: Materials Data on CoHO2 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