cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1310381
title: Materials Data on HfMnRh2 by Materials Project

description: HfMnRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Hf–Rh bond lengths are 2.74 Å. Mn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mn–Rh bond lengths are 2.74 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Mn atoms.
DOI: 10.17188/1310382
title: Materials Data on MgGaNi2 by Materials Project

description: MgNi2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Ga atoms. All Mg–Ni bond lengths are 2.56 Å. All Mg–Ga bond lengths are 2.96 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Ga atoms. All Ni–Ga bond lengths are 2.56 Å. Ga is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Ni atoms.
DOI: 10.17188/1310383
title: Materials Data on TiZnNi2 by Materials Project

description: TiNi2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Ti–Ni bond lengths are 2.54 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Zn atoms. All Ni–Zn bond lengths are 2.54 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1310384
title: Materials Data on HfNbTc2 by Materials Project

description: HfNbTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Hf–Tc bond lengths are 2.80 Å. Nb2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Nb–Tc bond lengths are 2.80 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Hf4+ and four equivalent Nb2+ atoms.
DOI: 10.17188/1310385
title: Materials Data on NaGaH8(NF3)2 by Materials Project

description: (NH4)2NaGaF6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight ammonium molecules and one NaGaF6 framework. In the NaGaF6 framework, Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent GaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.36 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent NaF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.93 Å. F1- is bonded in a linear geometry to one Na1+ and one Ga3+ atom.
DOI: 10.17188/1310386
title: Materials Data on NaHoTl2 by Materials Project

description: NaHoTl2 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 Tl atoms. All Na–Tl bond lengths are 3.28 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ho–Tl bond lengths are 3.28 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ho atoms.
DOI: 10.17188/1310387
title: Materials Data on NaHgPd2 by Materials Project

description: NaPd2Hg 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 Pd and six equivalent Hg atoms. All Na–Pd bond lengths are 2.86 Å. All Na–Hg bond lengths are 3.30 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Hg atoms. All Pd–Hg bond lengths are 2.86 Å. Hg is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Pd atoms.
DOI: 10.17188/1310388
title: Materials Data on NaLaAu2 by Materials Project

description: NaLaAu2 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 Au atoms. All Na–Au bond lengths are 3.17 Å. La is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All La–Au bond lengths are 3.17 Å. Au is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent La atoms.
DOI: 10.17188/1310389
title: Materials Data on NaLaHg2 by Materials Project

description: NaLaHg2 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 Hg atoms. All Na–Hg bond lengths are 3.29 Å. La is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All La–Hg bond lengths are 3.29 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent La atoms.
DOI: 10.17188/1310390
title: Materials Data on Gd(AlSi)2 by Materials Project

description: Gd(AlSi)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Gd is bonded to six equivalent Si atoms to form distorted GdSi6 octahedra that share corners with twelve equivalent AlSi4 tetrahedra, edges with six equivalent GdSi6 octahedra, and edges with six equivalent AlSi4 tetrahedra. All Gd–Si bond lengths are 2.99 Å. Al is bonded to four equivalent Si atoms to form distorted AlSi4 tetrahedra that share corners with six equivalent GdSi6 octahedra, corners with six equivalent AlSi4 tetrahedra, edges with three equivalent GdSi6 octahedra, and edges with three equivalent AlSi4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–54°. There are three shorter (2.51 Å) and one longer (2.54 Å) Al–Si bond lengths. Si is bonded to three equivalent Gd and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing SiGd3Al4 pentagonal bipyramids.
DOI: 10.17188/1310391
title: Materials Data on NaInHg2 by Materials Project

description: NaHg2In 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 Hg atoms. All Na–Hg bond lengths are 3.21 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent In atoms. All Hg–In bond lengths are 3.21 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1310392
title: Materials Data on NaLi2Bi by Materials Project

description: Li2NaBi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Bi atoms. All Na–Li bond lengths are 3.04 Å. All Na–Bi bond lengths are 3.51 Å. Li is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Bi atoms. All Li–Bi bond lengths are 3.04 Å. Bi is bonded in a distorted body-centered cubic geometry to six equivalent Na and eight equivalent Li atoms.
DOI: 10.17188/1310393
title: Materials Data on NaLaTl2 by Materials Project

description: NaLaTl2 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 Tl atoms. All Na–Tl bond lengths are 3.38 Å. La is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All La–Tl bond lengths are 3.38 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent La atoms.
DOI: 10.17188/1310394
title: Materials Data on DyGa3 by Materials Project

description: DyGa3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Ga atoms to form a mixture of distorted face and corner-sharing DyGa12 cuboctahedra. There are six shorter (3.04 Å) and six longer (3.14 Å) Dy–Ga bond lengths. Ga is bonded in a 10-coordinate geometry to four equivalent Dy and six equivalent Ga atoms. All Ga–Ga bond lengths are 2.80 Å.
DOI: 10.17188/1310396
title: Materials Data on Dy2Co3Ge5 by Materials Project

description: Dy2Co3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to ten Ge atoms. There are a spread of Dy–Ge bond distances ranging from 2.89–3.23 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.41–2.71 Å. In the second Co site, Co is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.32–2.42 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Dy and four equivalent Co atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Dy, three Co, and four Ge atoms. There are two shorter (2.66 Å) and two longer (2.86 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Dy, three Co, and two Ge atoms. The Ge–Ge bond length is 2.65 Å. In the fourth Ge site, Ge is bonded in a 5-coordinate geometry to four equivalent Dy, three Co, and four Ge atoms.
DOI: 10.17188/1310397
title: Materials Data on NaMgPb2 by Materials Project

description: NaMgPb2 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 Pb atoms. All Na–Pb bond lengths are 3.30 Å. Mg is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Mg–Pb bond lengths are 3.30 Å. Pb is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Mg atoms.
DOI: 10.17188/1310398
title: Materials Data on NaSmHg2 by Materials Project

description: NaSmHg2 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 Hg atoms. All Na–Hg bond lengths are 3.22 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Sm–Hg bond lengths are 3.22 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Sm atoms.
DOI: 10.17188/1310399
title: Materials Data on NaSmTl2 by Materials Project

description: NaSmTl2 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 Tl atoms. All Na–Tl bond lengths are 3.32 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Sm–Tl bond lengths are 3.32 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Sm atoms.
DOI: 10.17188/1310402
title: Materials Data on NaMgTl2 by Materials Project

description: NaMgTl2 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 Tl atoms. All Na–Tl bond lengths are 3.26 Å. Mg is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Mg–Tl bond lengths are 3.26 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Mg atoms.
DOI: 10.17188/1310403
title: Materials Data on NaSmAu2 by Materials Project

description: NaSmAu2 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 Au atoms. All Na–Au bond lengths are 3.10 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sm–Au bond lengths are 3.10 Å. Au is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Sm atoms.
DOI: 10.17188/1310404
title: Materials Data on NaPrTl2 by Materials Project

description: NaPrTl2 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 Tl atoms. All Na–Tl bond lengths are 3.35 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Pr–Tl bond lengths are 3.35 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Pr atoms.
DOI: 10.17188/1310405
title: Materials Data on NaNdAu2 by Materials Project

description: NaNdAu2 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 Au atoms. All Na–Au bond lengths are 3.13 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Nd–Au bond lengths are 3.13 Å. Au is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Nd atoms.
DOI: 10.17188/1310406
title: Materials Data on NaDyTl2 by Materials Project

description: NaDyTl2 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 Tl atoms. All Na–Tl bond lengths are 3.28 Å. Dy is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Dy–Tl bond lengths are 3.28 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Dy atoms.
DOI: 10.17188/1310407
title: Materials Data on NaNdHg2 by Materials Project

description: NaNdHg2 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 Hg atoms. All Na–Hg bond lengths are 3.24 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Nd–Hg bond lengths are 3.24 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Nd atoms.
DOI: 10.17188/1310408
title: Materials Data on LiSmTl2 by Materials Project

description: LiSmTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Li–Tl bond lengths are 3.22 Å. Sm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Sm–Tl bond lengths are 3.22 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Sm atoms.
DOI: 10.17188/1310409
title: Materials Data on NaErTl2 by Materials Project

description: NaErTl2 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 Tl atoms. All Na–Tl bond lengths are 3.27 Å. Er is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms. All Er–Tl bond lengths are 3.27 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Er atoms.
DOI: 10.17188/1310410
title: Materials Data on NaPrAu2 by Materials Project

description: NaPrAu2 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 Au atoms. All Na–Au bond lengths are 3.15 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pr–Au bond lengths are 3.15 Å. Au is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Pr atoms.
DOI: 10.17188/1310411
title: Materials Data on NaPrHg2 by Materials Project

description: NaPrHg2 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 Hg atoms. All Na–Hg bond lengths are 3.26 Å. Pr is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pr–Hg bond lengths are 3.26 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Pr atoms.
DOI: 10.17188/1310412
title: Materials Data on NaPaO3 by Materials Project

description: NaPaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent PaO6 octahedra. All Na–O bond lengths are 3.08 Å. Pa5+ is bonded to six equivalent O2- atoms to form PaO6 octahedra that share corners with six equivalent PaO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Pa–O bond lengths are 2.18 Å. O2- is bonded in a linear geometry to four equivalent Na1+ and two equivalent Pa5+ atoms.
DOI: 10.17188/1310413
title: Materials Data on NaSrAu2 by Materials Project

description: NaSrAu2 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 Au atoms. All Na–Au bond lengths are 3.23 Å. Sr is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sr–Au bond lengths are 3.23 Å. Au is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Sr atoms.
DOI: 10.17188/1310414
title: Materials Data on NaNdTl2 by Materials Project

description: NaNdTl2 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 Tl atoms. All Na–Tl bond lengths are 3.34 Å. Nd is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Nd–Tl bond lengths are 3.34 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Nd atoms.
DOI: 10.17188/1310415
title: Materials Data on MgGaPd2 by Materials Project

description: MgPd2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Mg–Pd bond lengths are 2.71 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ga atoms. All Pd–Ga bond lengths are 2.71 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1310416
title: Materials Data on NaSr2In by Materials Project

description: NaSr2In 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 Sr atoms. All Na–Sr bond lengths are 3.64 Å. Sr is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent In atoms. All Sr–In bond lengths are 3.64 Å. In is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.
DOI: 10.17188/1310417
title: Materials Data on MgGaRh2 by Materials Project

description: MgRh2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Mg–Rh bond lengths are 2.65 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Ga atoms. All Rh–Ga bond lengths are 2.65 Å. Ga is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310418
title: Materials Data on NaTlPd2 by Materials Project

description: NaPd2Tl 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 Pd atoms. All Na–Pd bond lengths are 2.89 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Tl atoms. All Pd–Tl bond lengths are 2.89 Å. Tl is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1310419
title: Materials Data on NaTl2Cd by Materials Project

description: NaCdTl2 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 Tl atoms. All Na–Tl bond lengths are 3.30 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Tl atoms. All Cd–Tl bond lengths are 3.30 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Cd atoms.
DOI: 10.17188/1310420
title: Materials Data on NaSr2Tl by Materials Project

description: NaSr2Tl 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 Sr atoms. All Na–Sr bond lengths are 3.64 Å. Sr is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Tl atoms. All Sr–Tl bond lengths are 3.64 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Sr atoms.
DOI: 10.17188/1310421
title: Materials Data on Lu2MgGe2 by Materials Project

description: Lu2MgGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to four equivalent Ge atoms. All Mg–Ge bond lengths are 2.82 Å. Lu is bonded in a 6-coordinate geometry to six equivalent Ge atoms. There are two shorter (2.89 Å) and four longer (3.02 Å) Lu–Ge bond lengths. Ge is bonded in a 9-coordinate geometry to two equivalent Mg, six equivalent Lu, and one Ge atom. The Ge–Ge bond length is 2.53 Å.
DOI: 10.17188/1310422
title: Materials Data on Hf2MoRh by Materials Project

description: Hf2MoRh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Mo and four equivalent Rh atoms. All Hf–Mo bond lengths are 2.84 Å. All Hf–Rh bond lengths are 2.84 Å. Mo is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1310423
title: Materials Data on Hf2OsRh by Materials Project

description: Hf2OsRh is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a body-centered cubic geometry to four equivalent Os and four equivalent Rh atoms. All Hf–Os bond lengths are 2.83 Å. All Hf–Rh bond lengths are 2.83 Å. Os is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Rh is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1310425
title: Materials Data on NaNiCSO7 (SG: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: 10.17188/1310426
title: Materials Data on LiNi2OF3 (SG:62) 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: 10.17188/1310427
title: Materials Data on Li2CrFeO4 (SG:5) 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