cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1722710
title: Materials Data on Zn4P2H3O10 by Materials Project

description: Zn4P2H3O10 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are three inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 1.92–2.46 Å. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Zn–O bond distances ranging from 1.88–2.19 Å. In the third Zn2+ site, Zn2+ is bonded in a 2-coordinate geometry to four O2- atoms. There are two shorter (1.88 Å) and two longer (2.37 Å) Zn–O bond lengths. P+4.50+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of P–O bond distances ranging from 1.51–1.68 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 linear geometry to two equivalent O2- atoms. Both H–O bond lengths are 1.21 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Zn2+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to one Zn2+, one P+4.50+, and one H1+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Zn2+, one P+4.50+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Zn2+ and one P+4.50+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Zn2+ and one P+4.50+ atom.
DOI: 10.17188/1722711
title: Materials Data on TmInNi by Materials Project

description: TmNiIn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 11-coordinate geometry to five Ni and six In atoms. There are four shorter (2.92 Å) and one longer (3.07 Å) Tm–Ni bond lengths. There are two shorter (3.09 Å) and four longer (3.25 Å) Tm–In bond lengths. In the second Tm site, Tm is bonded in a 11-coordinate geometry to five Ni and six In atoms. There are four shorter (2.91 Å) and one longer (3.08 Å) Tm–Ni bond lengths. There are a spread of Tm–In bond distances ranging from 3.09–3.26 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six Tm and three In atoms. There are two shorter (2.82 Å) and one longer (2.83 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded in a 9-coordinate geometry to three Tm and six In atoms. All Ni–In bond lengths are 2.66 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 10-coordinate geometry to six Tm and four Ni atoms. In the second In site, In is bonded in a 10-coordinate geometry to six Tm and four Ni atoms.
DOI: 10.17188/1722713
title: Materials Data on PaOsO3 by Materials Project

description: PaOsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent O2- atoms to form PaO12 cuboctahedra that share corners with twelve equivalent PaO12 cuboctahedra, faces with six equivalent PaO12 cuboctahedra, and faces with eight equivalent OsO6 octahedra. All Pa–O bond lengths are 2.80 Å. Os3+ is bonded to six equivalent O2- atoms to form OsO6 octahedra that share corners with six equivalent OsO6 octahedra and faces with eight equivalent PaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–O bond lengths are 1.98 Å. O2- is bonded in a distorted linear geometry to four equivalent Pa3+ and two equivalent Os3+ atoms.
DOI: 10.17188/1722714
title: Materials Data on CeSe2 by Materials Project

description: CeSe2 is low (alpha) Cristobalite-like structured and crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Ce4+ is bonded to four equivalent Se2- atoms to form corner-sharing CeSe4 tetrahedra. All Ce–Se bond lengths are 2.73 Å. Se2- is bonded in a bent 150 degrees geometry to two equivalent Ce4+ atoms.
DOI: 10.17188/1722715
title: Materials Data on Bi3O4F by Materials Project

description: Bi3O4F crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a rectangular see-saw-like geometry to three O2- and one F1- atom. There are a spread of Bi–O bond distances ranging from 2.12–2.21 Å. The Bi–F bond length is 2.50 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Bi–O bond distances ranging from 2.27–2.63 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Bi3+ atoms. F1- is bonded in a linear geometry to two equivalent Bi3+ atoms.
DOI: 10.17188/1722716
title: Materials Data on Eu3H by Materials Project

description: (Eu)6H2 crystallizes in the hexagonal P6_3/mmc space group. The structure is zero-dimensional and consists of six europium molecules and two hydrogen molecules.
DOI: 10.17188/1722717
title: Materials Data on Tm2Ge5Rh3 by Materials Project

description: Tm2Rh3Ge5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 3.00–3.32 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.50–2.70 Å. In the second Rh site, Rh is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Rh–Ge bond distances ranging from 2.39–2.52 Å. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tm, three Rh, and two Ge atoms. There are one shorter (2.68 Å) and one longer (2.69 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 3-coordinate geometry to three Rh and four Ge atoms. Both Ge–Ge bond lengths are 2.95 Å. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Rh atoms. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Tm, three Rh, and four Ge atoms.
DOI: 10.17188/1722718
title: Materials Data on Ba2Mn3(SeO3)6 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: 10.17188/1722719
title: Materials Data on Nd5Si3C by Materials Project

description: Nd5Si3C crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded to six equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing NdSi6 octahedra. The corner-sharing octahedral tilt angles are 29°. All Nd–Si bond lengths are 3.14 Å. In the second Nd3+ site, Nd3+ is bonded in a 2-coordinate geometry to three equivalent Si4- and two equivalent C3- atoms. There are two shorter (3.11 Å) and one longer (3.22 Å) Nd–Si bond lengths. Both Nd–C bond lengths are 2.59 Å. Si4- is bonded in a 9-coordinate geometry to seven Nd3+ atoms. C3- is bonded to six equivalent Nd3+ atoms to form face-sharing CNd6 octahedra.
DOI: 10.17188/1722721
title: Materials Data on Pu3Sc by Materials Project

description: Pu3Sc is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded to eight Pu and four equivalent Sc atoms to form PuPu8Sc4 cuboctahedra that share corners with twelve equivalent PuPu8Sc4 cuboctahedra, edges with eight equivalent ScPu12 cuboctahedra, edges with sixteen PuPu8Sc4 cuboctahedra, faces with four equivalent ScPu12 cuboctahedra, and faces with fourteen PuPu8Sc4 cuboctahedra. There are four shorter (3.17 Å) and four longer (3.24 Å) Pu–Pu bond lengths. All Pu–Sc bond lengths are 3.17 Å. In the second Pu site, Pu is bonded to eight equivalent Pu and four equivalent Sc atoms to form PuPu8Sc4 cuboctahedra that share corners with four equivalent PuPu8Sc4 cuboctahedra, corners with eight equivalent ScPu12 cuboctahedra, edges with twenty-four PuPu8Sc4 cuboctahedra, faces with six equivalent ScPu12 cuboctahedra, and faces with twelve PuPu8Sc4 cuboctahedra. All Pu–Sc bond lengths are 3.24 Å. Sc is bonded to twelve Pu atoms to form ScPu12 cuboctahedra that share corners with four equivalent ScPu12 cuboctahedra, corners with eight equivalent PuPu8Sc4 cuboctahedra, edges with eight equivalent ScPu12 cuboctahedra, edges with sixteen equivalent PuPu8Sc4 cuboctahedra, faces with four equivalent ScPu12 cuboctahedra, and faces with fourteen PuPu8Sc4 cuboctahedra.
DOI: 10.17188/1722722
title: Materials Data on Yb(TmS2)2 by Materials Project

description: Yb(TmS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded to seven S2- atoms to form distorted YbS7 pentagonal bipyramids that share corners with eight TmS6 octahedra, edges with five TmS6 octahedra, edges with two equivalent YbS7 pentagonal bipyramids, and faces with two equivalent YbS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 14–67°. There are a spread of Yb–S bond distances ranging from 2.86–2.98 Å. There are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six S2- atoms to form TmS6 octahedra that share corners with three equivalent TmS6 octahedra, corners with four equivalent YbS7 pentagonal bipyramids, edges with six TmS6 octahedra, and an edgeedge with one YbS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 52–60°. There are a spread of Tm–S bond distances ranging from 2.68–2.78 Å. In the second Tm3+ site, Tm3+ is bonded to six S2- atoms to form TmS6 octahedra that share corners with three equivalent TmS6 octahedra, corners with four equivalent YbS7 pentagonal bipyramids, edges with four TmS6 octahedra, and edges with four equivalent YbS7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 52–60°. There are a spread of Tm–S bond distances ranging from 2.67–2.75 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two equivalent Yb2+ and three Tm3+ atoms to form a mixture of distorted edge and corner-sharing SYb2Tm3 trigonal bipyramids. In the second S2- site, S2- is bonded to two equivalent Yb2+ and three Tm3+ atoms to form SYb2Tm3 square pyramids that share corners with two equivalent SYb3Tm2 square pyramids, corners with two equivalent SYb2Tm3 trigonal bipyramids, edges with five SYb2Tm3 square pyramids, and edges with three equivalent SYb2Tm3 trigonal bipyramids. In the third S2- site, S2- is bonded to three equivalent Yb2+ and two equivalent Tm3+ atoms to form a mixture of distorted edge and corner-sharing SYb3Tm2 square pyramids. In the fourth S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Tm3+ atoms.
DOI: 10.17188/1722723
title: Materials Data on K3TmCl6 by Materials Project

description: Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
DOI: 10.6084/m9.figshare.13684882
title: Additional file 1 of Medical education too: sexual harassment within the educational context of medicine – insights of undergraduates

description: Additional file 1. MWIA Sexual Harassment Survey. IfAS Fragebogen zu Sexismus und sexueller Belästigung.
DOI: 10.6084/m9.figshare.13684882.v1
title: Additional file 1 of Medical education too: sexual harassment within the educational context of medicine – insights of undergraduates

description: Additional file 1. MWIA Sexual Harassment Survey. IfAS Fragebogen zu Sexismus und sexueller Belästigung.
DOI: 10.17188/1722724
title: Materials Data on LiPH22(C2O)4 by Materials Project

description: LiH20(C2O)4PH2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four phosphine molecules and four schembl18304645 molecules.
DOI: 10.17188/1722725
title: Materials Data on AlMo3F15 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: 10.17188/1722726
title: Materials Data on Cs2KDyCl6 by Materials Project

description: Cs2KDyCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent KCl6 octahedra, and faces with four equivalent DyCl6 octahedra. All Cs–Cl bond lengths are 4.02 Å. K1+ is bonded to six equivalent Cl1- atoms to form KCl6 octahedra that share corners with six equivalent DyCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All K–Cl bond lengths are 3.03 Å. Dy3+ is bonded to six equivalent Cl1- atoms to form DyCl6 octahedra that share corners with six equivalent KCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Dy–Cl bond lengths are 2.64 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one K1+, and one Dy3+ atom.
DOI: 10.17188/1722727
title: Materials Data on HfAlPt2 by Materials Project

description: HfPt2Al crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to eight equivalent Pt and three equivalent Al atoms. There are two shorter (2.74 Å) and six longer (2.94 Å) Hf–Pt bond lengths. All Hf–Al bond lengths are 2.60 Å. Pt is bonded in a 1-coordinate geometry to four equivalent Hf, four equivalent Pt, and three equivalent Al atoms. There are one shorter (2.75 Å) and three longer (2.94 Å) Pt–Pt bond lengths. All Pt–Al bond lengths are 2.94 Å. Al is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Pt atoms.
DOI: 10.17188/1722728
title: Materials Data on BrN by Materials Project

description: BrN crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one BrN sheet oriented in the (0, 0, 1) direction. N1+ is bonded in a distorted square co-planar geometry to four equivalent Br1- atoms. All N–Br bond lengths are 2.21 Å. Br1- is bonded in a distorted square co-planar geometry to four equivalent N1+ atoms.
DOI: 10.17188/1722729
title: Materials Data on PrFeH8C6(N3O2)2 by Materials Project

description: FePrC6H4(N3O)2(H2O)2 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of four iron molecules, eight water molecules, and four PrC6H4(N3O)2 clusters. In each PrC6H4(N3O)2 cluster, Pr3+ is bonded in a 8-coordinate geometry to six N3- and two equivalent O2- atoms. There are four shorter (2.57 Å) and two longer (2.61 Å) Pr–N bond lengths. Both Pr–O bond lengths are 2.49 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 distorted linear geometry to one Pr3+ and one C2+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to one Pr3+ and one C2+ atom. 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 distorted water-like geometry to one Pr3+ and two equivalent H1+ atoms.
DOI: 10.6084/m9.figshare.13684898
title: Additional file 2 of Heat production in a feeding matrix formed on carrion by communally breeding beetles

description: Additional file 2 (datasets).
DOI: 10.17188/1722730
title: Materials Data on MgWO5 by Materials Project

description: MgWO5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with five equivalent WO4 tetrahedra and an edgeedge with one MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.01–2.15 Å. W is bonded to four O atoms to form WO4 tetrahedra that share corners with five equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 17–59°. There are a spread of W–O bond distances ranging from 1.79–1.86 Å. There are five inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Mg and one W atom. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Mg and one W atom. In the third O site, O is bonded in a linear geometry to one Mg and one W atom. In the fourth O site, O is bonded in a single-bond geometry to one Mg atom. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Mg and one W atom.
DOI: 10.17188/1722731
title: Materials Data on Sr2LaMn2O7 by Materials Project

description: LaSr2Mn2O7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–2.79 Å. La3+ is bonded to twelve O2- atoms to form LaO12 cuboctahedra that share corners with four equivalent LaO12 cuboctahedra, faces with four equivalent LaO12 cuboctahedra, and faces with eight equivalent MnO6 octahedra. There are eight shorter (2.70 Å) and four longer (2.78 Å) La–O bond lengths. Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five equivalent MnO6 octahedra and faces with four equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are a spread of Mn–O bond distances ranging from 1.94–1.98 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five equivalent Sr2+ and one Mn+3.50+ atom to form a mixture of distorted edge and corner-sharing OSr5Mn octahedra. The corner-sharing octahedral tilt angles are 9°. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted linear geometry to four equivalent La3+ and two equivalent Mn+3.50+ atoms.
DOI: 10.6084/m9.figshare.13684898.v1
title: Additional file 2 of Heat production in a feeding matrix formed on carrion by communally breeding beetles

description: Additional file 2 (datasets).
DOI: 10.17188/1722732
title: Materials Data on Sr5Mn(Fe2O5)2 by Materials Project

description: Sr5Mn(Fe2O5)2 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.67 Å) and six longer (2.68 Å) Sr–O bond lengths. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Sr–O bond lengths are 2.68 Å. In the third Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight O2- atoms. All Sr–O bond lengths are 2.68 Å. Mn2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.03 Å) and two longer (2.05 Å) Mn–O bond lengths. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a square co-planar geometry to four O2- atoms. There are one shorter (2.01 Å) and three longer (2.03 Å) Fe–O bond lengths. In the second Fe2+ site, Fe2+ is bonded in a square co-planar geometry to four O2- atoms. All Fe–O bond lengths are 2.03 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one Mn2+, and one Fe2+ atom to form distorted OSr4MnFe octahedra that share corners with fourteen OSr4Fe2 octahedra, edges with four equivalent OSr4MnFe octahedra, and faces with four OSr4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two Fe2+ atoms to form OSr4Fe2 octahedra that share corners with fourteen OSr4MnFe octahedra, edges with four equivalent OSr4Fe2 octahedra, and faces with four OSr4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Fe2+ atoms to form a mixture of face, edge, and corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the fourth O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Mn2+ atoms to form distorted OSr4Mn2 octahedra that share corners with fourteen OSr4Fe2 octahedra, edges with four OSr4Fe2 octahedra, and faces with four equivalent OSr4MnFe octahedra. The corner-sharing octahedra tilt angles range from 0–64°. In the fifth O2- site, O2- is bonded to four Sr2+ and two equivalent Fe2+ atoms to form OSr4Fe2 octahedra that share corners with fourteen OSr4MnFe octahedra, edges with four OSr4Fe2 octahedra, and faces with four OSr4MnFe octahedra. The corner-sharing octahedra tilt angles range from 0–65°. In the sixth O2- site, O2- is bonded to four Sr2+ and two equivalent Fe2+ atoms to form a mixture of face, edge, and corner-sharing OSr4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°.
DOI: 10.17188/1722733
title: Materials Data on Zr3V by Materials Project

description: Zr3V is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded to eight equivalent Zr and four equivalent V atoms to form distorted ZrZr8V4 cuboctahedra that share corners with four equivalent VZr12 cuboctahedra, corners with fourteen equivalent ZrZr8V4 cuboctahedra, edges with six equivalent VZr12 cuboctahedra, edges with twelve equivalent ZrZr8V4 cuboctahedra, faces with four equivalent VZr12 cuboctahedra, and faces with sixteen equivalent ZrZr8V4 cuboctahedra. There are a spread of Zr–Zr bond distances ranging from 3.05–3.29 Å. There are two shorter (3.03 Å) and two longer (3.17 Å) Zr–V bond lengths. V is bonded to twelve equivalent Zr atoms to form VZr12 cuboctahedra that share corners with six equivalent VZr12 cuboctahedra, corners with twelve equivalent ZrZr8V4 cuboctahedra, edges with eighteen equivalent ZrZr8V4 cuboctahedra, faces with eight equivalent VZr12 cuboctahedra, and faces with twelve equivalent ZrZr8V4 cuboctahedra.
DOI: 10.17188/1722734
title: Materials Data on DySb3 by Materials Project

description: DySb3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Dy3+ is bonded to twelve equivalent Sb1- atoms to form a mixture of face and corner-sharing DySb12 cuboctahedra. There are six shorter (3.27 Å) and six longer (3.46 Å) Dy–Sb bond lengths. Sb1- is bonded in a 4-coordinate geometry to four equivalent Dy3+ atoms.
DOI: 10.17188/1722736
title: Materials Data on Pb3W3N5 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