cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1278020
title: Materials Data on CaCuAs2O7 by Materials Project

description: CaCuAs2O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.86 Å. Cu2+ is bonded to five O2- atoms to form distorted CuO5 square pyramids that share corners with five AsO4 tetrahedra. There are a spread of Cu–O bond distances ranging from 1.95–2.40 Å. There are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with two equivalent CuO5 square pyramids and a cornercorner with one AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.70–1.81 Å. In the second As5+ site, As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with three equivalent CuO5 square pyramids and a cornercorner with one AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.69–1.79 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Cu2+, and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one Cu2+, and one As5+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Ca2+, one Cu2+, and one As5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Ca2+, one Cu2+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Ca2+, one Cu2+, and one As5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ca2+ and one As5+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two As5+ atoms.
DOI: 10.17188/1278021
title: Materials Data on CoCu2(BO3)2 by Materials Project

description: Cu2CoB2O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Co2+ is bonded to six O2- atoms to form edge-sharing CoO6 octahedra. There are a spread of Co–O bond distances ranging from 2.09–2.30 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a 6-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.92–2.61 Å. In the second Cu2+ site, Cu2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.88–2.45 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.36 Å) and one longer (1.42 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.34–1.44 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Co2+, two equivalent Cu2+, and one B3+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Co2+, one Cu2+, and one B3+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Co2+, two equivalent Cu2+, and one B3+ atom. In the fourth O2- site, O2- is bonded to two equivalent Co2+ and two Cu2+ atoms to form corner-sharing OCo2Cu2 tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cu2+ and one B3+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to one Cu2+ and two B3+ atoms.
DOI: 10.17188/1278023
title: Materials Data on CaSmCuClO3 by Materials Project

description: CaSmCuO3Cl crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ca2+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Ca–O bond lengths are 2.49 Å. There are four shorter (3.01 Å) and one longer (3.19 Å) Ca–Cl bond lengths. Sm3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.30 Å) and four longer (2.70 Å) Sm–O bond lengths. Cu2+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- and one Cl1- atom. All Cu–O bond lengths are 1.96 Å. The Cu–Cl bond length is 2.76 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+, two equivalent Sm3+, and two equivalent Cu2+ atoms to form distorted OCa2Sm2Cu2 octahedra that share corners with two equivalent OCa2Sm2Cu2 octahedra, corners with six equivalent OSm4 tetrahedra, edges with two equivalent OCa2Sm2Cu2 octahedra, an edgeedge with one OSm4 tetrahedra, and faces with four equivalent OCa2Sm2Cu2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the second O2- site, O2- is bonded to four equivalent Sm3+ atoms to form OSm4 tetrahedra that share corners with twelve equivalent OCa2Sm2Cu2 octahedra, corners with four equivalent OSm4 tetrahedra, edges with two equivalent OCa2Sm2Cu2 octahedra, and edges with four equivalent OSm4 tetrahedra. The corner-sharing octahedra tilt angles range from 12–69°. Cl1- is bonded in a 6-coordinate geometry to five equivalent Ca2+ and one Cu2+ atom.
DOI: 10.17188/1278024
title: Materials Data on TaAg7S6 by Materials Project

description: Ag7TaS6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ta5+ is bonded to four S2- atoms to form TaS4 tetrahedra that share corners with two equivalent AgS4 tetrahedra. All Ta–S bond lengths are 2.32 Å. There are seven inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.55–2.92 Å. In the second Ag1+ site, Ag1+ is bonded to four S2- atoms to form distorted AgS4 tetrahedra that share corners with two equivalent TaS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.62–2.76 Å. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.57 Å. In the fourth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.69 Å. In the fifth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are two shorter (2.55 Å) and one longer (2.65 Å) Ag–S bond lengths. In the sixth Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three S2- atoms. There are a spread of Ag–S bond distances ranging from 2.52–2.66 Å. In the seventh Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.21 Å. There are six inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. In the second S2- site, S2- is bonded in a 4-coordinate geometry to one Ta5+ and three Ag1+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to five Ag1+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to one Ta5+ and four Ag1+ atoms. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to one Ta5+ and three Ag1+ atoms. In the sixth S2- site, S2- is bonded in a 1-coordinate geometry to one Ta5+ and three Ag1+ atoms.
DOI: 10.17188/1278025
title: Materials Data on Rb2Se5 by Materials Project

description: Rb2Se5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten Se+0.40- atoms. There are a spread of Rb–Se bond distances ranging from 3.49–3.85 Å. In the second Rb1+ site, Rb1+ is bonded in a 9-coordinate geometry to nine Se+0.40- atoms. There are a spread of Rb–Se bond distances ranging from 3.60–3.97 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a 7-coordinate geometry to six Rb1+ and one Se+0.40- atom. The Se–Se bond length is 2.36 Å. In the second Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to three Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.40 Å. In the third Se+0.40- site, Se+0.40- is bonded in a 3-coordinate geometry to one Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the fourth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry to four Rb1+ and two Se+0.40- atoms. The Se–Se bond length is 2.37 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry to five Rb1+ and one Se+0.40- atom.
DOI: 10.17188/1278026
title: Materials Data on SnC2(SN)2 by Materials Project

description: SnC2(NS)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two diisothiocyanatotin molecules. Sn2+ is bonded in a distorted L-shaped geometry to two N3- atoms. There are one shorter (2.23 Å) and one longer (2.30 Å) Sn–N bond lengths. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.62 Å. In the second C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.18 Å. The C–S bond length is 1.63 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to one Sn2+ and one C4+ atom. In the second N3- site, N3- is bonded in a linear geometry to one Sn2+ and one C4+ atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to one C4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one C4+ atom.
DOI: 10.17188/1278028
title: Materials Data on Ba2Ho(CuO2)4 by Materials Project

description: HoBa2Cu4O8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Ba–O bond distances ranging from 2.76–3.02 Å. Ho3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.40 Å) and four longer (2.41 Å) Ho–O bond lengths. There are two inequivalent Cu+2.25+ sites. In the first Cu+2.25+ site, Cu+2.25+ is bonded to five O2- atoms to form corner-sharing CuO5 square pyramids. There are four shorter (1.96 Å) and one longer (2.32 Å) Cu–O bond lengths. In the second Cu+2.25+ site, Cu+2.25+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.85–1.95 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Ba2+ and three equivalent Cu+2.25+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Ho3+, and two equivalent Cu+2.25+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ba2+, two equivalent Ho3+, and two equivalent Cu+2.25+ atoms. In the fourth O2- site, O2- is bonded to four equivalent Ba2+ and two Cu+2.25+ atoms to form a mixture of distorted edge and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles are 11°.
DOI: 10.17188/1278029
title: Materials Data on K2Zn(CN)4 by Materials Project

description: K2Zn(CN)4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional and consists of one K(CN)2 framework and twelve zinc molecules. In the K(CN)2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six N3- atoms to form distorted edge-sharing KN6 pentagonal pyramids. There are a spread of K–N bond distances ranging from 2.87–3.02 Å. In the second K1+ site, K1+ is bonded to six equivalent N3- atoms to form edge-sharing KN6 octahedra. All K–N bond lengths are 2.86 Å. There are two inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. In the second C2+ site, C2+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to three K1+ and one C2+ atom. In the second N3- site, N3- is bonded to three equivalent K1+ and one C2+ atom to form distorted corner-sharing NK3C tetrahedra.
DOI: 10.17188/1278030
title: Materials Data on CaInPd by Materials Project

description: CaPdIn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to five equivalent Pd and six equivalent In atoms. There are a spread of Ca–Pd bond distances ranging from 3.12–3.17 Å. There are a spread of Ca–In bond distances ranging from 3.38–3.53 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.87 Å. In is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent Pd atoms.
DOI: 10.6084/m9.figshare.13661051
title: Purity of Primary Mouse Ear/Pinnae-derived Fibroblasts

description: Primary fibroblasts were extracted from the ears/pinnae of three young C57BL/6 mice of each sex (male and female) from the NIA. Cells were frozen at the end of passage 3 and then thawed for analysis by flow cytometry. As a control, cells from a peritoneal lavage were collected and analyzed. Cells were stained for CD45, CD90.2, and CD140a to assess purity with a MACSQuant Analyzer 10. Data was analyzed with Flowlogic v7.<br>
DOI: 10.17188/1278031
title: Materials Data on Ba15(ZrSe3)14 by Materials Project

description: Ba15(ZrSe3)14 is Orthorhombic Perovskite-like structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. there are three inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.26–3.78 Å. In the second Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.29–3.91 Å. In the third Ba2+ site, Ba2+ is bonded in a 10-coordinate geometry to ten Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.26–3.96 Å. There are eight inequivalent Zr+3.86+ sites. In the first Zr+3.86+ site, Zr+3.86+ is bonded to six Se2- atoms to form face-sharing ZrSe6 octahedra. There are three shorter (2.71 Å) and three longer (2.73 Å) Zr–Se bond lengths. In the second Zr+3.86+ site, Zr+3.86+ is bonded to six equivalent Se2- atoms to form face-sharing ZrSe6 octahedra. All Zr–Se bond lengths are 2.74 Å. In the third Zr+3.86+ site, Zr+3.86+ is bonded to six equivalent Se2- atoms to form face-sharing ZrSe6 octahedra. All Zr–Se bond lengths are 2.72 Å. In the fourth Zr+3.86+ site, Zr+3.86+ is bonded to six Se2- atoms to form face-sharing ZrSe6 octahedra. There are three shorter (2.68 Å) and three longer (2.75 Å) Zr–Se bond lengths. In the fifth Zr+3.86+ site, Zr+3.86+ is bonded to six Se2- atoms to form face-sharing ZrSe6 octahedra. There are three shorter (2.70 Å) and three longer (2.75 Å) Zr–Se bond lengths. In the sixth Zr+3.86+ site, Zr+3.86+ is bonded to six Se2- atoms to form face-sharing ZrSe6 octahedra. There are three shorter (2.68 Å) and three longer (2.76 Å) Zr–Se bond lengths. In the seventh Zr+3.86+ site, Zr+3.86+ is bonded to six Se2- atoms to form face-sharing ZrSe6 octahedra. All Zr–Se bond lengths are 2.72 Å. In the eighth Zr+3.86+ site, Zr+3.86+ is bonded to six Se2- atoms to form distorted face-sharing ZrSe6 octahedra. There are three shorter (2.70 Å) and three longer (2.76 Å) Zr–Se bond lengths. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to three equivalent Ba2+ and two Zr+3.86+ atoms. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to four Ba2+ and two Zr+3.86+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Ba2+ and two Zr+3.86+ atoms. In the fourth Se2- site, Se2- is bonded in a 6-coordinate geometry to four Ba2+ and two Zr+3.86+ atoms. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to two Ba2+ and two Zr+3.86+ atoms. In the sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to three Ba2+ and two Zr+3.86+ atoms. In the seventh Se2- site, Se2- is bonded in a 6-coordinate geometry to four Ba2+ and two Zr+3.86+ atoms.
DOI: 10.17188/1278032
title: Materials Data on NaSr2AlP3 by Materials Project

description: NaSr2AlP3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 2-coordinate geometry to six P+2.67- atoms. There are a spread of Na–P bond distances ranging from 2.90–3.31 Å. In the second Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three P+2.67- atoms. There are two shorter (2.75 Å) and one longer (3.02 Å) Na–P bond lengths. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven P+2.67- atoms. There are a spread of Sr–P bond distances ranging from 3.09–3.47 Å. In the second Sr2+ site, Sr2+ is bonded to six P+2.67- atoms to form SrP6 octahedra that share corners with two equivalent SrP6 octahedra, corners with two equivalent AlP4 tetrahedra, edges with two equivalent SrP6 octahedra, and edges with two equivalent AlP4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are two shorter (3.04 Å) and four longer (3.20 Å) Sr–P bond lengths. In the third Sr2+ site, Sr2+ is bonded to six P+2.67- atoms to form SrP6 octahedra that share corners with two equivalent SrP6 octahedra, corners with two equivalent AlP4 tetrahedra, edges with two equivalent SrP6 octahedra, and edges with four AlP4 tetrahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Sr–P bond distances ranging from 3.06–3.21 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four P+2.67- atoms to form AlP4 tetrahedra that share edges with four SrP6 octahedra and an edgeedge with one AlP4 tetrahedra. There are a spread of Al–P bond distances ranging from 2.37–2.56 Å. In the second Al3+ site, Al3+ is bonded to four P+2.67- atoms to form AlP4 tetrahedra that share corners with four SrP6 octahedra, edges with two equivalent SrP6 octahedra, and edges with two AlP4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are a spread of Al–P bond distances ranging from 2.37–2.45 Å. There are five inequivalent P+2.67- sites. In the first P+2.67- site, P+2.67- is bonded in a 7-coordinate geometry to two Na1+, three Sr2+, and two Al3+ atoms. In the second P+2.67- site, P+2.67- is bonded in a 8-coordinate geometry to three Na1+, four Sr2+, and one Al3+ atom. In the third P+2.67- site, P+2.67- is bonded in a 7-coordinate geometry to six Sr2+ and one P+2.67- atom. The P–P bond length is 2.28 Å. In the fourth P+2.67- site, P+2.67- is bonded in a 1-coordinate geometry to six Sr2+, one Al3+, and one P+2.67- atom. The P–P bond length is 2.27 Å. In the fifth P+2.67- site, P+2.67- is bonded in a 6-coordinate geometry to two equivalent Na1+, four Sr2+, and two equivalent Al3+ atoms.
DOI: 10.17188/1278033
title: Materials Data on Ca2BeSi2O7 by Materials Project

description: Ca2BeSi2O7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.38–2.83 Å. Be2+ is bonded to four equivalent O2- atoms to form BeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Be–O bond lengths are 1.66 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra and corners with two equivalent BeO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Ca2+, one Be2+, and one Si4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and two equivalent Si4+ atoms. In the third O2- site, O2- is bonded to three equivalent Ca2+ and one Si4+ atom to form a mixture of distorted edge and corner-sharing OCa3Si tetrahedra.
DOI: 10.17188/1278034
title: Materials Data on Y2Ge5Ru3 by Materials Project

description: Y2Ru3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Y is bonded in a 1-coordinate geometry to six Ru and ten Ge atoms. There are a spread of Y–Ru bond distances ranging from 3.20–3.49 Å. There are a spread of Y–Ge bond distances ranging from 2.98–3.47 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 6-coordinate geometry to four equivalent Y and six Ge atoms. There are four shorter (2.52 Å) and two longer (2.60 Å) Ru–Ge bond lengths. In the second Ru site, Ru is bonded in a 9-coordinate geometry to four equivalent Y and five Ge atoms. There are a spread of Ru–Ge bond distances ranging from 2.42–2.52 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 11-coordinate geometry to four equivalent Y, three Ru, and four Ge atoms. There are two shorter (2.72 Å) and two longer (2.90 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 6-coordinate geometry to four equivalent Y, three Ru, and two equivalent Ge atoms. In the third Ge site, Ge is bonded in a 10-coordinate geometry to four equivalent Y and four equivalent Ru atoms.
DOI: 10.17188/1278035
title: Materials Data on LiTl3(MoO4)2 (SG:186) 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: 10.17188/1278036
title: Materials Data on Cs2NaFeF6 (SG:166) 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: 10.17188/1278037
title: Materials Data on CsNiF3 (SG:166) 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