cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1750830
title: Materials Data on Rb2O2 by Materials Project

description: Rb2O2 is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb is bonded to six equivalent O atoms to form a mixture of edge and corner-sharing RbO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–O bond lengths are 2.90 Å. O is bonded to six equivalent Rb atoms to form a mixture of edge and corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1750831
title: Materials Data on Sr2UMn by Materials Project

description: Sr2UMn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr is bonded in a body-centered cubic geometry to four equivalent U and four equivalent Mn atoms. All Sr–U bond lengths are 3.54 Å. All Sr–Mn bond lengths are 3.54 Å. U is bonded in a body-centered cubic geometry to eight equivalent Sr atoms. Mn is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.
DOI: 10.17188/1750832
title: Materials Data on Eu2SbAu by Materials Project

description: Eu2AuSb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu2+ is bonded in a body-centered cubic geometry to four equivalent Au1- and four equivalent Sb3- atoms. All Eu–Au bond lengths are 3.34 Å. All Eu–Sb bond lengths are 3.34 Å. Au1- is bonded in a body-centered cubic geometry to eight equivalent Eu2+ atoms. Sb3- is bonded in a body-centered cubic geometry to eight equivalent Eu2+ atoms.
DOI: 10.17188/1750833
title: Materials Data on LiZnHg2 by Materials Project

description: LiHg2Zn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two LiHg2Zn ribbons oriented in the (0, 1, 0) direction. Li is bonded in a linear geometry to two equivalent Hg atoms. Both Li–Hg bond lengths are 2.74 Å. Hg is bonded in a linear geometry to one Li and one Zn atom. The Hg–Zn bond length is 2.83 Å. Zn is bonded in a linear geometry to two equivalent Hg atoms.
DOI: 10.17188/1750834
title: Materials Data on S2N3O8 by Materials Project

description: (N2)3(SO4)4 is Iron carbide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of twelve ammonia molecules and eight sulfuric acid molecules.
DOI: 10.17188/1750835
title: Materials Data on Sn(NF)2 by Materials Project

description: Sn(NF)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Sn(NF)2 sheets oriented in the (0, 1, 0) direction. Sn4+ is bonded to four equivalent F1- atoms to form distorted edge-sharing SnF4 hexagonal bipyramids. All Sn–F bond lengths are 2.35 Å. N1- is bonded in a 2-coordinate geometry to one N1- and one F1- atom. The N–N bond length is 1.12 Å. The N–F bond length is 2.55 Å. F1- is bonded in a 3-coordinate geometry to two equivalent Sn4+ and one N1- atom.
DOI: 10.17188/1750836
title: Materials Data on Ca(BO2)3 by Materials Project

description: Ca(BO2)3 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Ca–O bond distances ranging from 2.33–2.67 Å. There are three inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. All B–O bond lengths are 1.38 Å. In the second B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.45–1.51 Å. In the third B site, B is bonded to four O atoms to form corner-sharing BO4 tetrahedra. There are a spread of B–O bond distances ranging from 1.44–1.51 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Ca and two B atoms. In the second O site, O is bonded in a 1-coordinate geometry to two equivalent Ca and one B atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Ca and two B atoms. In the fourth O site, O is bonded in a distorted bent 120 degrees geometry to one Ca and two B atoms. In the fifth O site, O is bonded in a distorted trigonal planar geometry to one Ca and two B atoms. In the sixth O site, O is bonded in a 2-coordinate geometry to one Ca and two B atoms.
DOI: 10.17188/1750837
title: Materials Data on Li2FeF4 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: 10.17188/1750838
title: Materials Data on VBiPbO5 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: 10.17188/1750840
title: Materials Data on ZrCrAgS4 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: 10.17188/1750841
title: Materials Data on Li4AlCr3O8 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: 10.17188/1750842
title: Materials Data on Li3Mn2P2O8F3 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: 10.17188/1750843
title: Materials Data on KNa3WO5 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: 10.17188/1750844
title: Materials Data on Li3Mo(PO4)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: 10.17188/1750846
title: Materials Data on Bi3Sb(WO6)2 by Materials Project

description: Bi3Sb(WO6)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of W–O bond distances ranging from 1.87–2.08 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 18–22°. There are a spread of W–O bond distances ranging from 1.86–2.08 Å. There are three inequivalent Bi3+ sites. In the first 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 2.21–2.60 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 2.22–2.71 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 2.19–2.63 Å. Sb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.06–2.62 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two Bi3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+, one Bi3+, and one Sb3+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two Bi3+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one W6+, one Bi3+, and one Sb3+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two W6+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two W6+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two W6+ atoms. In the eighth O2- site, O2- is bonded in a bent 150 degrees geometry to two W6+ atoms. In the ninth O2- site, O2- is bonded to three Bi3+ and one Sb3+ atom to form a mixture of distorted edge and corner-sharing OBi3Sb tetrahedra. In the tenth O2- site, O2- is bonded to three Bi3+ and one Sb3+ atom to form a mixture of distorted edge and corner-sharing OBi3Sb tetrahedra. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Bi3+ and one Sb3+ atom. In the twelfth O2- site, O2- is bonded to three Bi3+ and one Sb3+ atom to form distorted edge-sharing OBi3Sb tetrahedra.
DOI: 10.17188/1750847
title: Materials Data on LiFe2(BO3)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: 10.17188/1750848
title: Materials Data on Eu(BRu)4 by Materials Project

description: Eu(RuB)4 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Eu2+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are a spread of Eu–B bond distances ranging from 2.96–3.25 Å. Ru+2.50+ is bonded to five equivalent B3- atoms to form a mixture of distorted edge and corner-sharing RuB5 trigonal bipyramids. There are a spread of Ru–B bond distances ranging from 2.15–2.31 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Eu2+, five equivalent Ru+2.50+, and one B3- atom. The B–B bond length is 1.80 Å.
DOI: 10.17188/1750849
title: Materials Data on Ba2Mo15Se19 by Materials Project

description: Ba2Mo15Se19 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ba2+ is bonded in a 5-coordinate geometry to eleven Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.30–3.93 Å. There are three inequivalent Mo+2.27+ sites. In the first Mo+2.27+ site, Mo+2.27+ is bonded in a see-saw-like geometry to four Se2- atoms. There are two shorter (2.58 Å) and two longer (2.62 Å) Mo–Se bond lengths. In the second Mo+2.27+ site, Mo+2.27+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.57–2.66 Å. In the third Mo+2.27+ site, Mo+2.27+ is bonded to five Se2- atoms to form a mixture of corner and edge-sharing MoSe5 square pyramids. There are a spread of Mo–Se bond distances ranging from 2.56–2.73 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to one Ba2+ and three equivalent Mo+2.27+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to one Ba2+ and four Mo+2.27+ atoms. In the third Se2- site, Se2- is bonded in a 7-coordinate geometry to one Ba2+ and three equivalent Mo+2.27+ atoms. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to one Ba2+ and four Mo+2.27+ atoms. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Ba2+ and four Mo+2.27+ atoms.
DOI: 10.17188/1750850
title: Materials Data on Mn6O11F 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: 10.17188/1750851
title: Materials Data on NbVRe2 by Materials Project

description: NbVRe2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbVRe2 ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to two equivalent Re atoms. Both Nb–Re bond lengths are 2.26 Å. V is bonded in a linear geometry to two equivalent Re atoms. Both V–Re bond lengths are 2.13 Å. Re is bonded in a linear geometry to one Nb and one V atom.
DOI: 10.17188/1750852
title: Materials Data on Li5Mn3(PO4)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: 10.6084/m9.figshare.3759315
title: Critical current characterisation of SuperOx GdBCO 2G HTS superconducting wire

description: Detailed measurements of the critical current of a commercial GdBCO 2G HTS wire as a function of temperature, magnetic field, and field angle, performed at the Robinson Research Institute of Victoria University of Wellington.
DOI: 10.17188/1750855
title: Materials Data on Li(ZrS2)2 by Materials Project

description: LiZr2S4 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Li1+ is bonded to six S2- atoms to form LiS6 octahedra that share corners with six equivalent ZrS6 octahedra, edges with two equivalent LiS6 octahedra, and edges with six ZrS6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Li–S bond lengths are 2.64 Å. There are two inequivalent Zr+3.50+ sites. In the first Zr+3.50+ site, Zr+3.50+ is bonded to six S2- atoms to form ZrS6 octahedra that share corners with six equivalent LiS6 octahedra, edges with two equivalent LiS6 octahedra, and edges with six ZrS6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are two shorter (2.58 Å) and four longer (2.61 Å) Zr–S bond lengths. In the second Zr+3.50+ site, Zr+3.50+ is bonded to six S2- atoms to form ZrS6 octahedra that share edges with four equivalent LiS6 octahedra and edges with six ZrS6 octahedra. There are four shorter (2.59 Å) and two longer (2.60 Å) Zr–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Li1+ and three Zr+3.50+ atoms to form a mixture of edge and corner-sharing SLi2Zr3 square pyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Li1+ and three Zr+3.50+ atoms.
DOI: 10.6084/m9.figshare.3759315.v2
title: Critical current characterisation of SuperOx 2G HTS superconducting wire

description: Detailed measurements of the critical current of a commercial 2G HTS REBCO wire as a function of temperature, magnetic field, and field angle, performed at the Robinson Research Institute of Victoria University of Wellington.
DOI: 10.17188/1750856
title: Materials Data on Ca11Sn3C8 by Materials Project

description: Ca11C8(Sn)3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of twelve 7440-31-5 molecules and one Ca11C8 framework. In the Ca11C8 framework, there are eleven inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded in a linear geometry to two C4- atoms. There are one shorter (2.53 Å) and one longer (2.55 Å) Ca–C bond lengths. In the second Ca2+ site, Ca2+ is bonded in a distorted rectangular see-saw-like geometry to four C4- atoms. There are a spread of Ca–C bond distances ranging from 2.47–2.90 Å. In the third Ca2+ site, Ca2+ is bonded in a bent 150 degrees geometry to two C4- atoms. There are one shorter (2.53 Å) and one longer (2.56 Å) Ca–C bond lengths. In the fourth Ca2+ site, Ca2+ is bonded in a 3-coordinate geometry to three C4- atoms. There are a spread of Ca–C bond distances ranging from 2.60–2.94 Å. In the fifth Ca2+ site, Ca2+ is bonded in a distorted T-shaped geometry to three C4- atoms. There are two shorter (2.55 Å) and one longer (2.91 Å) Ca–C bond lengths. In the sixth Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to three C4- atoms. There are a spread of Ca–C bond distances ranging from 2.48–2.72 Å. In the seventh Ca2+ site, Ca2+ is bonded in a distorted hexagonal planar geometry to six C4- atoms. There are a spread of Ca–C bond distances ranging from 2.47–2.86 Å. In the eighth Ca2+ site, Ca2+ is bonded in a 4-coordinate geometry to four C4- atoms. There are a spread of Ca–C bond distances ranging from 2.44–3.00 Å. In the ninth Ca2+ site, Ca2+ is bonded in a 1-coordinate geometry to three C4- atoms. There are a spread of Ca–C bond distances ranging from 2.45–2.74 Å. In the tenth Ca2+ site, Ca2+ is bonded in a 2-coordinate geometry to five C4- atoms. There are a spread of Ca–C bond distances ranging from 2.48–2.94 Å. In the eleventh Ca2+ site, Ca2+ is bonded in a 3-coordinate geometry to three C4- atoms. There are a spread of Ca–C bond distances ranging from 2.60–2.88 Å. There are eight inequivalent C4- sites. In the first C4- site, C4- is bonded in a distorted rectangular see-saw-like geometry to five Ca2+ and one C4- atom. The C–C bond length is 1.32 Å. In the second C4- site, C4- is bonded in a 4-coordinate geometry to six Ca2+ and one C4- atom. The C–C bond length is 1.33 Å. In the third C4- site, C4- is bonded to three Ca2+ and two C4- atoms to form corner-sharing CCa3C2 trigonal bipyramids. The C–C bond length is 1.33 Å. In the fourth C4- site, C4- is bonded in a 4-coordinate geometry to six Ca2+ and one C4- atom. In the fifth C4- site, C4- is bonded to three Ca2+ and two C4- atoms to form corner-sharing CCa3C2 trigonal bipyramids. The C–C bond length is 1.33 Å. In the sixth C4- site, C4- is bonded in a 5-coordinate geometry to five Ca2+ and one C4- atom. The C–C bond length is 1.27 Å. In the seventh C4- site, C4- is bonded in a 5-coordinate geometry to four Ca2+ and one C4- atom. In the eighth C4- site, C4- is bonded in a 4-coordinate geometry to six Ca2+ and one C4- atom.
DOI: 10.17188/1750857
title: Materials Data on MnZnSe2 by Materials Project

description: ZnMnSe2 is Chalcopyrite-like structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Mn2+ is bonded to four Se2- atoms to form MnSe4 tetrahedra that share corners with six equivalent MnSe4 tetrahedra and corners with six equivalent ZnSe4 tetrahedra. There are three shorter (2.54 Å) and one longer (2.55 Å) Mn–Se bond lengths. Zn2+ is bonded to four Se2- atoms to form ZnSe4 tetrahedra that share corners with six equivalent MnSe4 tetrahedra and corners with six equivalent ZnSe4 tetrahedra. There are one shorter (2.49 Å) and three longer (2.52 Å) Zn–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to one Mn2+ and three equivalent Zn2+ atoms to form corner-sharing SeMnZn3 tetrahedra. In the second Se2- site, Se2- is bonded to three equivalent Mn2+ and one Zn2+ atom to form corner-sharing SeMn3Zn tetrahedra.
DOI: 10.17188/1750858
title: Materials Data on LiLaNb4O12 by Materials Project

description: LiLaNb4O12 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li1+ is bonded to twelve O2- atoms to form LiO12 cuboctahedra that share corners with four equivalent LiO12 cuboctahedra, faces with four equivalent LaO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. There are eight shorter (2.74 Å) and four longer (2.81 Å) Li–O bond lengths. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with four equivalent LaO12 cuboctahedra, faces with four equivalent LiO12 cuboctahedra, and faces with eight equivalent NbO6 octahedra. There are eight shorter (2.67 Å) and four longer (2.81 Å) La–O bond lengths. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent NbO6 octahedra, faces with two equivalent LiO12 cuboctahedra, and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–14°. There are a spread of Nb–O bond distances ranging from 1.94–2.08 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one La3+, and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Li1+, two equivalent La3+, and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Nb5+ atoms.
DOI: 10.17188/1750859
title: Materials Data on YMg2 by Materials Project

description: Mg2Y is beta-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to nine Mg and three equivalent Y atoms to form distorted MgY3Mg9 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve MgY3Mg9 cuboctahedra, edges with seven equivalent YY4Mg8 cuboctahedra, edges with eleven MgY3Mg9 cuboctahedra, faces with seven equivalent YY4Mg8 cuboctahedra, and faces with thirteen MgY3Mg9 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.25–3.49 Å. There are one shorter (3.26 Å) and two longer (3.41 Å) Mg–Y bond lengths. In the second Mg site, Mg is bonded to seven Mg and five equivalent Y atoms to form distorted MgY5Mg7 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve MgY3Mg9 cuboctahedra, edges with five equivalent YY4Mg8 cuboctahedra, edges with thirteen MgY3Mg9 cuboctahedra, faces with eight equivalent YY4Mg8 cuboctahedra, and faces with twelve MgY3Mg9 cuboctahedra. There are two shorter (3.31 Å) and one longer (3.47 Å) Mg–Mg bond lengths. There are a spread of Mg–Y bond distances ranging from 3.34–3.49 Å. Y is bonded to eight Mg and four equivalent Y atoms to form YY4Mg8 cuboctahedra that share corners with six equivalent YY4Mg8 cuboctahedra, corners with twelve MgY3Mg9 cuboctahedra, edges with six equivalent YY4Mg8 cuboctahedra, edges with twelve MgY3Mg9 cuboctahedra, faces with five equivalent YY4Mg8 cuboctahedra, and faces with fifteen MgY3Mg9 cuboctahedra. There are two shorter (3.31 Å) and two longer (3.42 Å) Y–Y bond lengths.
DOI: 10.17188/1750860
title: Materials Data on FeMoO by Materials Project

description: FeMoO is Calaverite-derived structured and crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of one FeMoO sheet oriented in the (0, 0, 1) direction. Mo is bonded in a 3-coordinate geometry to three equivalent O atoms. All Mo–O bond lengths are 2.20 Å. Fe is bonded in a 3-coordinate geometry to three equivalent O atoms. All Fe–O bond lengths are 2.26 Å. O is bonded to three equivalent Mo and three equivalent Fe atoms to form edge-sharing OFe3Mo3 octahedra.
DOI: 10.17188/1750861
title: Materials Data on Os2(CN2)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: 10.17188/1750862
title: Materials Data on LiV(OF)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