cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1316441
title: Materials Data on HoTmTl2 by Materials Project

description: TmHoTl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Tm–Tl bond lengths are 3.26 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ho–Tl bond lengths are 3.26 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Ho atoms.
DOI: 10.17188/1316442
title: Materials Data on Nb2RuW by Materials Project

description: Nb2WRu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to four equivalent W and four equivalent Ru atoms. All Nb–W bond lengths are 2.79 Å. All Nb–Ru bond lengths are 2.79 Å. W is bonded in a body-centered cubic geometry to eight equivalent Nb atoms. Ru is bonded in a body-centered cubic geometry to eight equivalent Nb atoms.
DOI: 10.17188/1316443
title: Materials Data on Sm3Np by Materials Project

description: NpSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np is bonded to twelve equivalent Sm atoms to form NpSm12 cuboctahedra that share corners with six equivalent NpSm12 cuboctahedra, corners with twelve equivalent SmSm8Np4 cuboctahedra, edges with eighteen equivalent SmSm8Np4 cuboctahedra, faces with eight equivalent NpSm12 cuboctahedra, and faces with twelve equivalent SmSm8Np4 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.60 Å) Np–Sm bond lengths. Sm is bonded to four equivalent Np and eight equivalent Sm atoms to form SmSm8Np4 cuboctahedra that share corners with four equivalent NpSm12 cuboctahedra, corners with fourteen equivalent SmSm8Np4 cuboctahedra, edges with six equivalent NpSm12 cuboctahedra, edges with twelve equivalent SmSm8Np4 cuboctahedra, faces with four equivalent NpSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Np4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.54–3.65 Å.
DOI: 10.17188/1316444
title: Materials Data on Ho2ZnIr by Materials Project

description: Ho2IrZn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Zn atoms. All Ho–Ir bond lengths are 3.02 Å. All Ho–Zn bond lengths are 3.02 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ho atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Ho atoms.
DOI: 10.17188/1316445
title: Materials Data on WN2 by Materials Project

description: WN2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. W6+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are four shorter (2.01 Å) and two longer (2.08 Å) W–N bond lengths. N3- is bonded in a distorted trigonal planar geometry to three equivalent W6+ atoms.
DOI: 10.17188/1316446
title: Materials Data on TmHfCo2 by Materials Project

description: TmHfCo2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Tm–Co bond lengths are 2.79 Å. Hf is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Hf–Co bond lengths are 2.79 Å. Co is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Hf atoms.
DOI: 10.17188/1316447
title: Materials Data on Pm2PtAu by Materials Project

description: Pm2PtAu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Pt and four equivalent Au atoms. All Pm–Pt bond lengths are 3.15 Å. All Pm–Au bond lengths are 3.15 Å. Pt is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Au is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1316448
title: Materials Data on Na3Tl by Materials Project

description: Na3Tl is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent Na and four equivalent Tl atoms to form distorted NaNa8Tl4 cuboctahedra that share corners with twelve equivalent NaNa8Tl4 cuboctahedra, edges with eight equivalent TlNa12 cuboctahedra, edges with sixteen equivalent NaNa8Tl4 cuboctahedra, faces with four equivalent TlNa12 cuboctahedra, and faces with fourteen equivalent NaNa8Tl4 cuboctahedra. All Na–Na bond lengths are 3.52 Å. All Na–Tl bond lengths are 3.52 Å. Tl is bonded to twelve equivalent Na atoms to form TlNa12 cuboctahedra that share corners with twelve equivalent TlNa12 cuboctahedra, edges with twenty-four equivalent NaNa8Tl4 cuboctahedra, faces with six equivalent TlNa12 cuboctahedra, and faces with twelve equivalent NaNa8Tl4 cuboctahedra.
DOI: 10.17188/1316449
title: Materials Data on TmB4Os by Materials Project

description: TmOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Tm3+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of Tm–B bond distances ranging from 2.62–2.76 Å. Os3+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Os–B bond distances ranging from 2.25–2.41 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Os3+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.75–1.87 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.85 Å. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Os3+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.75 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent Tm3+, four equivalent Os3+, and three B+1.50- atoms. The B–B bond length is 1.72 Å.
DOI: 10.17188/1316450
title: Materials Data on Zn3Se by Materials Project

description: Zn3Se is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zn is bonded in a distorted see-saw-like geometry to four equivalent Se atoms. There are two shorter (2.94 Å) and two longer (2.98 Å) Zn–Se bond lengths. Se is bonded to twelve equivalent Zn atoms to form a mixture of face and corner-sharing SeZn12 cuboctahedra.
DOI: 10.17188/1316451
title: Materials Data on NbTe by Materials Project

description: NbTe is Tungsten Carbide structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Te2- atoms to form a mixture of distorted corner, edge, and face-sharing NbTe6 pentagonal pyramids. All Nb–Te bond lengths are 2.83 Å. Te2- is bonded to six equivalent Nb2+ atoms to form a mixture of distorted corner, edge, and face-sharing TeNb6 pentagonal pyramids.
DOI: 10.17188/1316452
title: Materials Data on K3Cd by Materials Project

description: K3Cd is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Cd atoms to form distorted KK8Cd4 cuboctahedra that share corners with twelve equivalent KK8Cd4 cuboctahedra, edges with eight equivalent CdK12 cuboctahedra, edges with sixteen equivalent KK8Cd4 cuboctahedra, faces with four equivalent CdK12 cuboctahedra, and faces with fourteen equivalent KK8Cd4 cuboctahedra. All K–K bond lengths are 4.21 Å. All K–Cd bond lengths are 4.21 Å. Cd is bonded to twelve equivalent K atoms to form CdK12 cuboctahedra that share corners with twelve equivalent CdK12 cuboctahedra, edges with twenty-four equivalent KK8Cd4 cuboctahedra, faces with six equivalent CdK12 cuboctahedra, and faces with twelve equivalent KK8Cd4 cuboctahedra.
DOI: 10.17188/1316453
title: Materials Data on YbPPt by Materials Project

description: YbPtP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent Pt2- and six equivalent P1- atoms to form a mixture of face and edge-sharing YbP6Pt6 cuboctahedra. All Yb–Pt bond lengths are 3.12 Å. All Yb–P bond lengths are 3.12 Å. Pt2- is bonded in a 9-coordinate geometry to six equivalent Yb3+ and three equivalent P1- atoms. All Pt–P bond lengths are 2.35 Å. P1- is bonded in a 9-coordinate geometry to six equivalent Yb3+ and three equivalent Pt2- atoms.
DOI: 10.17188/1316454
title: Materials Data on PmYAl2 by Materials Project

description: PmYAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pm–Al bond lengths are 3.16 Å. Y is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Y–Al bond lengths are 3.16 Å. Al is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Y atoms.
DOI: 10.17188/1316455
title: Materials Data on HfAlIr2 by Materials Project

description: HfIr2Al 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 Ir atoms. All Hf–Ir bond lengths are 2.75 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Al atoms. All Ir–Al bond lengths are 2.75 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1316456
title: Materials Data on Na3Pt by Materials Project

description: Na3Pt is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Pt atoms to form distorted NaNa4Pt4 tetrahedra that share corners with eight equivalent NaNa8Pt4 cuboctahedra, corners with eight equivalent PtNa12 cuboctahedra, corners with eight equivalent NaNa4Pt4 tetrahedra, edges with four equivalent NaNa8Pt4 cuboctahedra, edges with four equivalent PtNa12 cuboctahedra, edges with twelve equivalent NaNa4Pt4 tetrahedra, and faces with six equivalent NaNa4Pt4 tetrahedra. All Na–Na bond lengths are 3.07 Å. All Na–Pt bond lengths are 3.07 Å. In the second Na site, Na is bonded to eight equivalent Na and four equivalent Pt atoms to form NaNa8Pt4 cuboctahedra that share corners with four equivalent NaNa8Pt4 cuboctahedra, corners with eight equivalent PtNa12 cuboctahedra, corners with sixteen equivalent NaNa4Pt4 tetrahedra, edges with eight equivalent NaNa8Pt4 cuboctahedra, edges with eight equivalent NaNa4Pt4 tetrahedra, faces with four equivalent NaNa8Pt4 cuboctahedra, and faces with six equivalent PtNa12 cuboctahedra. All Na–Pt bond lengths are 3.39 Å. Pt is bonded to twelve Na atoms to form distorted PtNa12 cuboctahedra that share corners with four equivalent PtNa12 cuboctahedra, corners with eight equivalent NaNa8Pt4 cuboctahedra, corners with sixteen equivalent NaNa4Pt4 tetrahedra, edges with eight equivalent PtNa12 cuboctahedra, edges with eight equivalent NaNa4Pt4 tetrahedra, faces with four equivalent PtNa12 cuboctahedra, and faces with six equivalent NaNa8Pt4 cuboctahedra.
DOI: 10.17188/1316457
title: Materials Data on Hg by Materials Project

description: Hg is alpha Po structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hg is bonded to six equivalent Hg atoms to form a mixture of corner and edge-sharing HgHg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Hg bond lengths are 3.16 Å.
DOI: 10.17188/1316458
title: Materials Data on Na3Tl by Materials Project

description: Na3Tl is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Na and four equivalent Tl atoms to form a mixture of distorted corner, edge, and face-sharing NaNa4Tl4 tetrahedra. All Na–Na bond lengths are 3.42 Å. All Na–Tl bond lengths are 3.42 Å. In the second Na site, Na is bonded in a body-centered cubic geometry to eight equivalent Na atoms. Tl is bonded in a body-centered cubic geometry to eight equivalent Na atoms.
DOI: 10.17188/1316459
title: Materials Data on Pm3Y by Materials Project

description: Pm3Y is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pm is bonded to eight equivalent Pm and four equivalent Y atoms to form PmPm8Y4 cuboctahedra that share corners with twelve equivalent PmPm8Y4 cuboctahedra, edges with eight equivalent YPm12 cuboctahedra, edges with sixteen equivalent PmPm8Y4 cuboctahedra, faces with four equivalent YPm12 cuboctahedra, and faces with fourteen equivalent PmPm8Y4 cuboctahedra. All Pm–Pm bond lengths are 3.63 Å. All Pm–Y bond lengths are 3.63 Å. Y is bonded to twelve equivalent Pm atoms to form YPm12 cuboctahedra that share corners with twelve equivalent YPm12 cuboctahedra, edges with twenty-four equivalent PmPm8Y4 cuboctahedra, faces with six equivalent YPm12 cuboctahedra, and faces with twelve equivalent PmPm8Y4 cuboctahedra.
DOI: 10.17188/1316460
title: Materials Data on PmTm3 by Materials Project

description: Tm3Pm is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to eight Tm and four equivalent Pm atoms to form TmPm4Tm8 cuboctahedra that share corners with twelve equivalent TmPm4Tm8 cuboctahedra, edges with eight equivalent PmTm12 cuboctahedra, edges with sixteen TmPm4Tm8 cuboctahedra, faces with four equivalent PmTm12 cuboctahedra, and faces with fourteen TmPm4Tm8 cuboctahedra. There are four shorter (3.53 Å) and four longer (3.54 Å) Tm–Tm bond lengths. All Tm–Pm bond lengths are 3.54 Å. In the second Tm site, Tm is bonded to eight equivalent Tm and four equivalent Pm atoms to form TmPm4Tm8 cuboctahedra that share corners with four equivalent TmPm4Tm8 cuboctahedra, corners with eight equivalent PmTm12 cuboctahedra, edges with twenty-four TmPm4Tm8 cuboctahedra, faces with six equivalent PmTm12 cuboctahedra, and faces with twelve TmPm4Tm8 cuboctahedra. All Tm–Pm bond lengths are 3.53 Å. Pm is bonded to twelve Tm atoms to form PmTm12 cuboctahedra that share corners with four equivalent PmTm12 cuboctahedra, corners with eight equivalent TmPm4Tm8 cuboctahedra, edges with eight equivalent PmTm12 cuboctahedra, edges with sixteen equivalent TmPm4Tm8 cuboctahedra, faces with four equivalent PmTm12 cuboctahedra, and faces with fourteen TmPm4Tm8 cuboctahedra.
DOI: 10.17188/1316461
title: Materials Data on Na6Cd16Au7 by Materials Project

description: Na6Au7Cd16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a 12-coordinate geometry to four equivalent Au and eight Cd atoms. All Na–Au bond lengths are 3.51 Å. There are four shorter (3.23 Å) and four longer (3.34 Å) Na–Cd bond lengths. There are two inequivalent Au sites. In the first Au site, Au is bonded to four equivalent Na and eight Cd atoms to form a mixture of distorted face and corner-sharing AuNa4Cd8 cuboctahedra. There are four shorter (2.83 Å) and four longer (3.04 Å) Au–Cd bond lengths. In the second Au site, Au is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Au–Cd bond lengths are 2.86 Å. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded in a 3-coordinate geometry to three equivalent Na and three equivalent Au atoms. In the second Cd site, Cd is bonded in a 4-coordinate geometry to three equivalent Na and four Au atoms.
DOI: 10.17188/1316462
title: Materials Data on KCaO3 by Materials Project

description: KCaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent CaO6 octahedra. All K–O bond lengths are 3.23 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.28 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Ca atoms.
DOI: 10.17188/1316463
title: Materials Data on Pm2AgRh by Materials Project

description: Pm2RhAg is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Ag atoms. All Pm–Rh bond lengths are 3.14 Å. All Pm–Ag bond lengths are 3.14 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Pm atoms. Ag is bonded in a body-centered cubic geometry to eight equivalent Pm atoms.
DOI: 10.17188/1316464
title: Materials Data on HfTl3 by Materials Project

description: HfTl3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded to twelve Tl atoms to form HfTl12 cuboctahedra that share corners with four equivalent HfTl12 cuboctahedra, edges with eight equivalent HfTl12 cuboctahedra, edges with sixteen equivalent TlHf4Tl8 cuboctahedra, faces with four equivalent HfTl12 cuboctahedra, and faces with eight equivalent TlHf4Tl8 cuboctahedra. There are four shorter (3.14 Å) and eight longer (3.37 Å) Hf–Tl bond lengths. There are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Hf and eight Tl atoms to form TlHf4Tl8 cuboctahedra that share corners with twelve equivalent TlHf4Tl8 cuboctahedra, edges with eight equivalent HfTl12 cuboctahedra, edges with eight equivalent TlHf4Tl8 cuboctahedra, faces with four equivalent HfTl12 cuboctahedra, and faces with ten equivalent TlHf4Tl8 cuboctahedra. There are four shorter (3.14 Å) and four longer (3.37 Å) Tl–Tl bond lengths. In the second Tl site, Tl is bonded in a distorted square co-planar geometry to four equivalent Hf and eight equivalent Tl atoms.
DOI: 10.17188/1316465
title: Materials Data on LiBeAu2 by Materials Project

description: LiBeAu2 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 Au atoms. All Li–Au bond lengths are 2.61 Å. Be is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Be–Au bond lengths are 2.61 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Be atoms.
DOI: 10.17188/1316466
title: Materials Data on LiBeO3 by Materials Project

description: LiBeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent O atoms to form LiO12 cuboctahedra that share corners with twelve equivalent LiO12 cuboctahedra, faces with six equivalent LiO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Li–O bond lengths are 2.48 Å. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent LiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.75 Å. O is bonded in a distorted linear geometry to four equivalent Li and two equivalent Be atoms.
DOI: 10.17188/1316467
title: Materials Data on Na3DyCl6 by Materials Project

description: Na3DyCl6 is Ilmenite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Na–Cl bond distances ranging from 2.85–3.14 Å. In the second Na1+ site, Na1+ is bonded to six Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent DyCl6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are a spread of Na–Cl bond distances ranging from 2.78–2.94 Å. Dy3+ is bonded to six Cl1- atoms to form DyCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedra tilt angles range from 44–46°. There are two shorter (2.64 Å) and four longer (2.66 Å) Dy–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to three Na1+ and one Dy3+ atom. In the second Cl1- site, Cl1- is bonded to three Na1+ and one Dy3+ atom to form a mixture of distorted corner and edge-sharing ClNa3Dy trigonal pyramids. In the third Cl1- site, Cl1- is bonded to three Na1+ and one Dy3+ atom to form a mixture of distorted corner and edge-sharing ClNa3Dy trigonal pyramids.
DOI: 10.17188/1316468
title: Materials Data on Na3Rh by Materials Project

description: Na3Rh crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Na is bonded in a distorted see-saw-like geometry to four equivalent Rh atoms. There are two shorter (3.12 Å) and two longer (3.18 Å) Na–Rh bond lengths. Rh is bonded to twelve equivalent Na atoms to form a mixture of face and corner-sharing RhNa12 cuboctahedra.
DOI: 10.17188/1316469
title: Materials Data on HfH3 by Materials Project

description: HfH3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Hf is bonded to twelve H atoms to form a mixture of face, edge, and corner-sharing HfH12 cuboctahedra. There are eight shorter (2.15 Å) and four longer (2.16 Å) Hf–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Hf atoms to form a mixture of distorted edge and corner-sharing HHf4 tetrahedra. In the second H site, H is bonded in a square co-planar geometry to four equivalent Hf atoms.
DOI: 10.17188/1316470
title: Materials Data on RhSe2 by Materials Project

description: RhSe2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Rh4+ is bonded to six equivalent Se2- atoms to form corner-sharing RhSe6 octahedra. The corner-sharing octahedral tilt angles are 63°. All Rh–Se bond lengths are 2.53 Å. Se2- is bonded in a 4-coordinate geometry to three equivalent Rh4+ and one Se2- atom. The Se–Se bond length is 2.58 Å.
DOI: 10.17188/1316471
title: Materials Data on NbP by Materials Project

description: NbP is alpha Niobium phosphide structured and crystallizes in the tetragonal I4_1/amd space group. The structure is two-dimensional and consists of four NbP sheets oriented in the (0, 0, 1) direction. Nb3+ is bonded in a square co-planar geometry to four equivalent P3- atoms. All Nb–P bond lengths are 2.49 Å. P3- is bonded in a square co-planar geometry to four equivalent Nb3+ atoms.