cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1692601
title: Materials Data on Sm2Ga2Fe15 by Materials Project

description: Sm2Fe15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to eighteen Fe and one Ga atom. There are a spread of Sm–Fe bond distances ranging from 3.03–3.34 Å. The Sm–Ga bond length is 3.06 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm, eight Fe, and two equivalent Ga atoms to form distorted FeSm2Ga2Fe8 cuboctahedra that share corners with fourteen FeSm2Ga2Fe8 cuboctahedra, edges with six equivalent FeSm3GaFe8 cuboctahedra, and faces with ten FeSm2Ga2Fe8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.46 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.58 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Sm, eight Fe, and two equivalent Ga atoms. There are a spread of Fe–Fe bond distances ranging from 2.49–2.65 Å. Both Fe–Ga bond lengths are 2.81 Å. In the third Fe site, Fe is bonded to three equivalent Sm, eight Fe, and one Ga atom to form a mixture of face, edge, and corner-sharing FeSm3GaFe8 cuboctahedra. Both Fe–Fe bond lengths are 2.47 Å. The Fe–Ga bond length is 2.61 Å. Ga is bonded in a 8-coordinate geometry to one Sm, twelve Fe, and one Ga atom. The Ga–Ga bond length is 2.58 Å.
DOI: 10.17188/1692602
title: Materials Data on HoUTe6 by Materials Project

description: UHoTe6 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two UHoTe6 sheets oriented in the (0, 1, 0) direction. U3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are a spread of U–Te bond distances ranging from 3.16–3.24 Å. Ho3+ is bonded in a 9-coordinate geometry to nine Te1- atoms. There are six shorter (3.25 Å) and three longer (3.27 Å) Ho–Te bond lengths. There are six inequivalent Te1- sites. In the first Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the second Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent Ho3+ and four equivalent Te1- atoms. All Te–Te bond lengths are 3.09 Å. In the third Te1- site, Te1- is bonded in a 5-coordinate geometry to one U3+ and four equivalent Ho3+ atoms. In the fourth Te1- site, Te1- is bonded in a 5-coordinate geometry to four equivalent U3+ and one Ho3+ atom. In the fifth Te1- site, Te1- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Te1- atoms. In the sixth Te1- site, Te1- is bonded in a 2-coordinate geometry to two equivalent U3+ and four equivalent Te1- atoms.
DOI: 10.17188/1692603
title: Materials Data on TbB2Ru by Materials Project

description: TbRuB2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent B3- atoms. There are a spread of Tb–B bond distances ranging from 2.65–2.98 Å. Ru3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. There are two shorter (2.24 Å) and four longer (2.29 Å) Ru–B bond lengths. B3- is bonded in a 9-coordinate geometry to four equivalent Tb3+, three equivalent Ru3+, and two equivalent B3- atoms. There is one shorter (1.77 Å) and one longer (1.86 Å) B–B bond length.
DOI: 10.17188/1692605
title: Materials Data on TbAlGe2O7 by Materials Project

description: TbAlGe2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.29–2.77 Å. Al3+ is bonded to five O2- atoms to form AlO5 trigonal bipyramids that share corners with five GeO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.80–1.95 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with two equivalent AlO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.73–1.79 Å. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one GeO4 tetrahedra and corners with three equivalent AlO5 trigonal bipyramids. There are a spread of Ge–O bond distances ranging from 1.76–1.83 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tb3+, one Al3+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Tb3+, one Al3+, and one Ge4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+, one Al3+, and one Ge4+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+, one Al3+, and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Tb3+ and one Ge4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Tb3+, one Al3+, and one Ge4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Tb3+ and two Ge4+ atoms.
DOI: 10.17188/1692606
title: Materials Data on Eu2TmTaO6 by Materials Project

description: TmEu2TaO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent O2- atoms to form TmO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tm–O bond lengths are 2.18 Å. Eu2+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, faces with four equivalent TmO6 octahedra, and faces with four equivalent TaO6 octahedra. All Eu–O bond lengths are 2.95 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent TmO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to one Tm3+, four equivalent Eu2+, and one Ta5+ atom.
DOI: 10.17188/1692607
title: Materials Data on K6Na14MgTl18 by Materials Project

description: K6Na14MgTl18 crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. K is bonded in a 6-coordinate geometry to one K, eight Na, and six equivalent Tl atoms. The K–K bond length is 4.06 Å. There are a spread of K–Na bond distances ranging from 3.85–4.11 Å. There are four shorter (3.75 Å) and two longer (3.81 Å) K–Tl bond lengths. There are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to three equivalent K and six Tl atoms. All Na–Tl bond lengths are 3.35 Å. In the second Na site, Na is bonded to four equivalent K and four Tl atoms to form distorted NaK4Tl4 tetrahedra that share corners with two equivalent MgTl12 cuboctahedra, corners with eight equivalent NaK4Tl4 tetrahedra, an edgeedge with one NaK4Tl4 tetrahedra, and a faceface with one NaK4Tl4 tetrahedra. There are two shorter (3.27 Å) and two longer (3.54 Å) Na–Tl bond lengths. Mg is bonded to twelve equivalent Tl atoms to form MgTl12 cuboctahedra that share corners with twelve equivalent NaK4Tl4 tetrahedra. All Mg–Tl bond lengths are 3.21 Å. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded in a 6-coordinate geometry to six Na atoms. In the second Tl site, Tl is bonded in a 12-coordinate geometry to three equivalent K, three Na, one Mg, and five equivalent Tl atoms. There are one shorter (3.34 Å) and four longer (3.39 Å) Tl–Tl bond lengths.
DOI: 10.17188/1692608
title: Materials Data on NaCd2In by Materials Project

description: NaCd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Cd and six equivalent In atoms. All Na–Cd bond lengths are 3.19 Å. All Na–In bond lengths are 3.68 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent In atoms. All Cd–In bond lengths are 3.19 Å. In is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Cd atoms.
DOI: 10.17188/1692609
title: Materials Data on MgMnN2 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: 10.17188/1692610
title: Materials Data on Co2As2O7 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: 10.17188/1692611
title: Materials Data on AlZn2Sb(HO)12 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: 10.17188/1692612
title: Materials Data on La3SiN4F by Materials Project

description: La3SiN4F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 9-coordinate geometry to seven N3- and two equivalent F1- atoms. There are a spread of La–N bond distances ranging from 2.56–3.03 Å. There are one shorter (2.74 Å) and one longer (2.78 Å) La–F bond lengths. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to six N3- and two equivalent F1- atoms. There are a spread of La–N bond distances ranging from 2.40–2.77 Å. There are one shorter (2.64 Å) and one longer (2.98 Å) La–F bond lengths. Si4+ is bonded in a tetrahedral geometry to four N3- atoms. There are a spread of Si–N bond distances ranging from 1.74–1.77 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to five La3+ and one Si4+ atom. In the second N3- site, N3- is bonded in a 1-coordinate geometry to five La3+ and one Si4+ atom. In the third N3- site, N3- is bonded in a 1-coordinate geometry to five La3+ and one Si4+ atom. F1- is bonded in a 5-coordinate geometry to six La3+ atoms.
DOI: 10.17188/1692613
title: Materials Data on Re3Rh by Materials Project

description: Re3Rh is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Rh atoms to form distorted ReRe8Rh4 cuboctahedra that share corners with four equivalent RhRe12 cuboctahedra, corners with fourteen equivalent ReRe8Rh4 cuboctahedra, edges with six equivalent RhRe12 cuboctahedra, edges with twelve ReRe8Rh4 cuboctahedra, faces with four equivalent RhRe12 cuboctahedra, and faces with sixteen ReRe8Rh4 cuboctahedra. There are six shorter (2.69 Å) and two longer (2.89 Å) Re–Re bond lengths. There are two shorter (2.76 Å) and two longer (2.79 Å) Re–Rh bond lengths. In the second Re site, Re is bonded to eight equivalent Re and four equivalent Rh atoms to form distorted ReRe8Rh4 cuboctahedra that share corners with four equivalent RhRe12 cuboctahedra, corners with fourteen ReRe8Rh4 cuboctahedra, edges with six equivalent RhRe12 cuboctahedra, edges with twelve equivalent ReRe8Rh4 cuboctahedra, faces with four equivalent RhRe12 cuboctahedra, and faces with sixteen ReRe8Rh4 cuboctahedra. There are two shorter (2.76 Å) and two longer (2.79 Å) Re–Rh bond lengths. Rh is bonded to twelve Re atoms to form RhRe12 cuboctahedra that share corners with six equivalent RhRe12 cuboctahedra, corners with twelve ReRe8Rh4 cuboctahedra, edges with eighteen ReRe8Rh4 cuboctahedra, faces with eight equivalent RhRe12 cuboctahedra, and faces with twelve ReRe8Rh4 cuboctahedra.
DOI: 10.17188/1692614
title: Materials Data on Mg2V3O8 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: 10.17188/1692615
title: Materials Data on Co2(ClO2)3 by Materials Project

description: (CoO4)2(CoCl2)2(O2)2Cl2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of four hydrochloric acid molecules; four oxygen molecules; four CoO4 clusters; and two CoCl2 ribbons oriented in the (1, 0, 0) direction. In each CoO4 cluster, Co is bonded in a square co-planar geometry to four O atoms. There is two shorter (1.83 Å) and two longer (1.84 Å) Co–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 1-coordinate geometry to one Co and one O atom. The O–O bond length is 1.36 Å. In the second O site, O is bonded in a 1-coordinate geometry to one Co and one O atom. In each CoCl2 ribbon, there are two inequivalent Co sites. In the first Co site, Co is bonded in a square co-planar geometry to four equivalent Cl atoms. All Co–Cl bond lengths are 2.34 Å. In the second Co site, Co is bonded in a square co-planar geometry to four equivalent Cl atoms. All Co–Cl bond lengths are 2.32 Å. Cl is bonded in an L-shaped geometry to two Co atoms.
DOI: 10.17188/1692616
title: Materials Data on K2TeH6SO10 by Materials Project

description: K2H6TeSO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.39 Å) and one longer (2.40 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to one O2- atom. The K–O bond length is 2.38 Å. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a bent 150 degrees geometry to two O2- atoms. There is one shorter (0.87 Å) and one longer (1.44 Å) H–O bond length. In the second H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (0.80 Å) and one longer (1.32 Å) H–O bond length. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.10 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.24 Å. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.03 Å. In the sixth H1+ site, H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.67 Å) H–O bond length. There are two inequivalent Te6+ sites. In the first Te6+ site, Te6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.81–2.38 Å. In the second Te6+ site, Te6+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.85–2.23 Å. S6+ is bonded in a distorted tetrahedral geometry to four O2- atoms. There are a spread of S–O bond distances ranging from 1.31–1.85 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one H1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one K1+, one H1+, and one Te6+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one H1+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one K1+ and one S6+ atom. In the sixth O2- site, O2- is bonded in a distorted water-like geometry to one H1+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one H1+ and one Te6+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one Te6+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+, one H1+, and one Te6+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to one H1+ and one S6+ atom.
DOI: 10.17188/1692617
title: Materials Data on YbPd2 by Materials Project

description: YbPd2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Yb is bonded in a 8-coordinate geometry to eight equivalent Pd atoms. All Yb–Pd bond lengths are 2.90 Å. Pd is bonded in a 8-coordinate geometry to four equivalent Yb and four equivalent Pd atoms. All Pd–Pd bond lengths are 2.72 Å.
DOI: 10.17188/1692619
title: Materials Data on ThSiSe by Materials Project

description: ThSiSe crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Th sites. In the first Th site, Th is bonded in a 9-coordinate geometry to four Si and five Se atoms. All Th–Si bond lengths are 3.04 Å. There are four shorter (3.02 Å) and one longer (3.24 Å) Th–Se bond lengths. In the second Th site, Th is bonded in a 9-coordinate geometry to four Si and five Se atoms. All Th–Si bond lengths are 3.04 Å. There are four shorter (3.02 Å) and one longer (3.24 Å) Th–Se bond lengths. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to four equivalent Th and four equivalent Si atoms. All Si–Si bond lengths are 2.83 Å. In the second Si site, Si is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Si atoms. In the third Si site, Si is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Si atoms. All Si–Si bond lengths are 2.83 Å. In the fourth Si site, Si is bonded in a distorted body-centered cubic geometry to four equivalent Th and four equivalent Si atoms. There are three inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to five Th atoms. In the second Se site, Se is bonded in a 5-coordinate geometry to five Th atoms. In the third Se site, Se is bonded in a 5-coordinate geometry to five Th atoms. There are four shorter (3.02 Å) and one longer (3.24 Å) Se–Th bond lengths.
DOI: 10.17188/1692620
title: Materials Data on K2SnH2Cl4O by Materials Project

description: K2SnH2OCl4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to one O2- and six Cl1- atoms. The K–O bond length is 2.86 Å. There are a spread of K–Cl bond distances ranging from 3.21–3.33 Å. Sn2+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are a spread of Sn–Cl bond distances ranging from 2.62–3.20 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to two equivalent K1+ and two H1+ atoms. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Sn2+ atom. In the second Cl1- site, Cl1- is bonded to four equivalent K1+ and one Sn2+ atom to form distorted corner-sharing ClK4Sn square pyramids. In the third Cl1- site, Cl1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Sn2+ atom.
DOI: 10.17188/1692621
title: Materials Data on EuSi2Ni9 by Materials Project

description: EuNi9Si2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Eu is bonded in a 10-coordinate geometry to eighteen Ni atoms. There are a spread of Eu–Ni bond distances ranging from 3.04–3.17 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to two equivalent Eu, eight equivalent Ni, and four equivalent Si atoms. All Ni–Ni bond lengths are 2.61 Å. All Ni–Si bond lengths are 2.57 Å. In the second Ni site, Ni is bonded to two equivalent Eu, eight Ni, and two equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing NiEu2Si2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.42–2.59 Å. There are one shorter (2.33 Å) and one longer (2.38 Å) Ni–Si bond lengths. Si is bonded in a 12-coordinate geometry to ten Ni atoms.
DOI: 10.17188/1692622
title: Materials Data on SrLaTiMnO6 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: 10.17188/1692623
title: Materials Data on MnO4 by Materials Project

description: MnO4 is Silicon tetrafluoride-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is zero-dimensional and consists of four mangan(iv)-hydroxyd molecules. Mn is bonded in a tetrahedral geometry to four equivalent O atoms. All Mn–O bond lengths are 1.62 Å. O is bonded in a single-bond geometry to one Mn atom.
DOI: 10.17188/1692624
title: Materials Data on MgBeB by Materials Project

description: MgBeB is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to six equivalent Be and four equivalent B atoms to form distorted MgBe6B4 tetrahedra that share corners with four equivalent BeMg6B4 tetrahedra, corners with six equivalent MgBe6B4 tetrahedra, edges with six equivalent BeMg6B4 tetrahedra, and faces with twelve equivalent MgBe6B4 tetrahedra. All Mg–Be bond lengths are 2.62 Å. All Mg–B bond lengths are 2.26 Å. Be is bonded to six equivalent Mg and four equivalent B atoms to form distorted BeMg6B4 tetrahedra that share corners with four equivalent MgBe6B4 tetrahedra, corners with six equivalent BeMg6B4 tetrahedra, edges with six equivalent MgBe6B4 tetrahedra, and faces with twelve equivalent BeMg6B4 tetrahedra. All Be–B bond lengths are 2.26 Å. B is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Be atoms.
DOI: 10.17188/1692625
title: Materials Data on LiCoBP2H2O11 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: 10.34622/datarepositorium/g3rghi/6jrao8
title: InqueritoSatisfacao6th_forum-GDI_16072020 (Responses).tab

description: Dados em bruto
DOI: 10.17188/1692626
title: Materials Data on Co2O3F 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: 10.34622/datarepositorium/g3rghi/0dvrtn
title: InqueritoSatisfacao6th_forum-GDI_16072020 - Google Forms.pdf

description: Formulário do inquérito