cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1187997
title: Materials Data on Y2(Al3Co)3 by Materials Project

description: Y2Co3Al9 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eleven Al atoms. There are a spread of Y–Al bond distances ranging from 2.96–3.08 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Al atoms. There are four shorter (2.51 Å) and four longer (2.57 Å) Co–Al bond lengths. In the second Co site, Co is bonded in a 8-coordinate geometry to eight Al atoms. There are a spread of Co–Al bond distances ranging from 2.48–2.57 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Co, and six Al atoms. There are four shorter (2.74 Å) and two longer (2.76 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 3-coordinate geometry to two equivalent Y, three Co, and four Al atoms. There are two shorter (2.69 Å) and two longer (2.89 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y, two equivalent Co, and six Al atoms. There are one shorter (2.73 Å) and two longer (2.78 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 3-coordinate geometry to three equivalent Y, three Co, and five Al atoms. There are one shorter (2.76 Å) and one longer (2.82 Å) Al–Al bond lengths.
DOI: 10.17188/1187998
title: Materials Data on LaPt3 by Materials Project

description: LaPt3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La2+ is bonded to twelve equivalent Pt+0.67- atoms to form a mixture of face and corner-sharing LaPt12 cuboctahedra. All La–Pt bond lengths are 3.00 Å. Pt+0.67- is bonded in a distorted square co-planar geometry to four equivalent La2+ atoms.
DOI: 10.17188/1187999
title: Materials Data on LaTl by Materials Project

description: LaTl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All La–Tl bond lengths are 3.46 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent La atoms.
DOI: 10.17188/1188000
title: Materials Data on Li3Pd by Materials Project

description: Li3Pd is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pd atoms. All Li–Li bond lengths are 2.68 Å. All Li–Pd bond lengths are 3.09 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Pd atoms to form a mixture of distorted corner, edge, and face-sharing LiLi4Pd4 tetrahedra. All Li–Pd bond lengths are 2.68 Å. Pd is bonded in a distorted body-centered cubic geometry to fourteen Li atoms.
DOI: 10.17188/1188001
title: Materials Data on Li2ZnSn by Materials Project

description: Li2ZnSn 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 four equivalent Zn and four equivalent Sn atoms. All Li–Zn bond lengths are 2.82 Å. All Li–Sn bond lengths are 2.82 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Li atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1188002
title: Materials Data on LuNi5 by Materials Project

description: LuNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.78 Å) and twelve longer (3.11 Å) Lu–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Lu and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiLu4Ni8 cuboctahedra. There are four shorter (2.40 Å) and four longer (2.42 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to three equivalent Lu and nine Ni atoms to form distorted NiLu3Ni9 cuboctahedra that share corners with twenty-one NiLu4Ni8 cuboctahedra, edges with six equivalent NiLu3Ni9 cuboctahedra, and faces with twenty-three NiLu4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.78 Å.
DOI: 10.17188/1188003
title: Materials Data on LuNi2Sn by Materials Project

description: LuNi2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a distorted body-centered cubic geometry to eight equivalent Ni and six equivalent Sn atoms. All Lu–Ni bond lengths are 2.77 Å. All Lu–Sn bond lengths are 3.20 Å. Ni is bonded in a distorted body-centered cubic geometry to four equivalent Lu and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.77 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Lu and eight equivalent Ni atoms.
DOI: 10.17188/1188004
title: Materials Data on LuPb2 by Materials Project

description: LuPb2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two LuPb2 sheets oriented in the (0, 0, 1) direction. Lu is bonded in a body-centered cubic geometry to eight equivalent Pb atoms. All Lu–Pb bond lengths are 3.30 Å. Pb is bonded in a 8-coordinate geometry to four equivalent Lu atoms.
DOI: 10.17188/1188005
title: Materials Data on LuPb3 by Materials Project

description: LuPb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Pb atoms to form a mixture of corner and face-sharing LuPb12 cuboctahedra. All Lu–Pb bond lengths are 3.44 Å. Pb is bonded in a distorted square co-planar geometry to four equivalent Lu atoms.
DOI: 10.17188/1188006
title: Materials Data on LuRu by Materials Project

description: LuRu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Lu–Ru bond lengths are 2.89 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1188007
title: Materials Data on LuZn by Materials Project

description: LuZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Lu–Zn bond lengths are 3.03 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1188008
title: Materials Data on TbMg2 by Materials Project

description: Mg2Tb is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Tb atoms to form a mixture of corner, edge, and face-sharing MgTb6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.04 Å. All Mg–Tb bond lengths are 3.56 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Tb atoms to form a mixture of corner, edge, and face-sharing MgTb6Mg6 cuboctahedra. There are two shorter (2.96 Å) and two longer (3.12 Å) Mg–Mg bond lengths. There are two shorter (3.52 Å) and four longer (3.54 Å) Mg–Tb bond lengths. Tb is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Tb atoms. There are one shorter (3.64 Å) and three longer (3.73 Å) Tb–Tb bond lengths.
DOI: 10.17188/1188009
title: Materials Data on MgTl by Materials Project

description: MgTl is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Mg–Tl bond lengths are 3.20 Å. Tl is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.
DOI: 10.17188/1188010
title: Materials Data on YMg2 by Materials Project

description: Mg2Y is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.05 Å. All Mg–Y bond lengths are 3.56 Å. In the second Mg site, Mg is bonded to six Mg and six equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY6Mg6 cuboctahedra. There are two shorter (2.95 Å) and two longer (3.11 Å) Mg–Mg bond lengths. There are two shorter (3.53 Å) and four longer (3.54 Å) Mg–Y bond lengths. Y is bonded in a 12-coordinate geometry to twelve Mg and four equivalent Y atoms. There are one shorter (3.65 Å) and three longer (3.72 Å) Y–Y bond lengths.
DOI: 10.17188/1188011
title: Materials Data on URh3 by Materials Project

description: URh3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. U is bonded to twelve equivalent Rh atoms to form a mixture of face and corner-sharing URh12 cuboctahedra. All U–Rh bond lengths are 2.85 Å. Rh is bonded in a distorted square co-planar geometry to four equivalent U atoms.
DOI: 10.17188/1188012
title: Materials Data on MnNi by Materials Project

description: NiMn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Ni atoms. All Mn–Ni bond lengths are 2.53 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1188013
title: Materials Data on MnNi3 by Materials Project

description: Ni3Mn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Ni atoms to form MnNi12 cuboctahedra that share corners with twelve equivalent MnNi12 cuboctahedra, edges with twenty-four equivalent NiMn4Ni8 cuboctahedra, faces with six equivalent MnNi12 cuboctahedra, and faces with twelve equivalent NiMn4Ni8 cuboctahedra. All Mn–Ni bond lengths are 2.52 Å. Ni is bonded to four equivalent Mn and eight equivalent Ni atoms to form NiMn4Ni8 cuboctahedra that share corners with twelve equivalent NiMn4Ni8 cuboctahedra, edges with eight equivalent MnNi12 cuboctahedra, edges with sixteen equivalent NiMn4Ni8 cuboctahedra, faces with four equivalent MnNi12 cuboctahedra, and faces with fourteen equivalent NiMn4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å.
DOI: 10.17188/1188014
title: Materials Data on MnZn by Materials Project

description: MnZn is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Mn–Zn bond lengths are 2.60 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms.
DOI: 10.17188/1188015
title: Materials Data on MnZn3 by Materials Project

description: MnZn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Zn atoms to form MnZn12 cuboctahedra that share corners with twelve equivalent MnZn12 cuboctahedra, edges with twenty-four equivalent ZnMn4Zn8 cuboctahedra, faces with six equivalent MnZn12 cuboctahedra, and faces with twelve equivalent ZnMn4Zn8 cuboctahedra. All Mn–Zn bond lengths are 2.70 Å. Zn is bonded to four equivalent Mn and eight equivalent Zn atoms to form ZnMn4Zn8 cuboctahedra that share corners with twelve equivalent ZnMn4Zn8 cuboctahedra, edges with eight equivalent MnZn12 cuboctahedra, edges with sixteen equivalent ZnMn4Zn8 cuboctahedra, faces with four equivalent MnZn12 cuboctahedra, and faces with fourteen equivalent ZnMn4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.70 Å.
DOI: 10.17188/1188016
title: Materials Data on Ni3Mo by Materials Project

description: Ni3Mo is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mo is bonded to twelve Ni atoms to form MoNi12 cuboctahedra that share corners with two equivalent MoNi12 cuboctahedra, corners with sixteen NiNi8Mo4 cuboctahedra, edges with six equivalent MoNi12 cuboctahedra, edges with twelve equivalent NiNi8Mo4 cuboctahedra, faces with six equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi8Mo4 cuboctahedra. There are a spread of Mo–Ni bond distances ranging from 2.51–2.59 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Mo and eight Ni atoms to form NiNi8Mo4 cuboctahedra that share corners with four equivalent MoNi12 cuboctahedra, corners with fourteen NiNi8Mo4 cuboctahedra, edges with six equivalent MoNi12 cuboctahedra, edges with twelve NiNi8Mo4 cuboctahedra, faces with four equivalent MoNi12 cuboctahedra, and faces with sixteen NiNi8Mo4 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.50–2.59 Å. In the second Ni site, Ni is bonded to four equivalent Mo and eight equivalent Ni atoms to form distorted NiNi8Mo4 cuboctahedra that share corners with eight equivalent MoNi12 cuboctahedra, corners with ten NiNi8Mo4 cuboctahedra, edges with eighteen NiNi8Mo4 cuboctahedra, faces with six equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi8Mo4 cuboctahedra.
DOI: 10.17188/1188017
title: Materials Data on Ni4Mo by Materials Project

description: Ni4Mo crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Mo is bonded to twelve Ni atoms to form MoNi12 cuboctahedra that share corners with twelve NiNi9Mo3 cuboctahedra, edges with eight equivalent MoNi12 cuboctahedra, edges with sixteen NiNi9Mo3 cuboctahedra, faces with two equivalent MoNi12 cuboctahedra, and faces with sixteen NiNi9Mo3 cuboctahedra. There are eight shorter (2.54 Å) and four longer (2.56 Å) Mo–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Mo and nine Ni atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent MoNi12 cuboctahedra, corners with nine NiNi9Mo3 cuboctahedra, edges with four equivalent MoNi12 cuboctahedra, edges with twenty NiNi9Mo3 cuboctahedra, faces with four equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi9Mo3 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.53–2.57 Å. In the second Ni site, Ni is bonded to three equivalent Mo and nine Ni atoms to form NiNi9Mo3 cuboctahedra that share corners with three equivalent MoNi12 cuboctahedra, corners with nine NiNi9Mo3 cuboctahedra, edges with four equivalent MoNi12 cuboctahedra, edges with twenty NiNi9Mo3 cuboctahedra, faces with four equivalent MoNi12 cuboctahedra, and faces with fourteen NiNi9Mo3 cuboctahedra. The Ni–Ni bond length is 2.54 Å.
DOI: 10.17188/1188018
title: Materials Data on MoP4 by Materials Project

description: MoP4 is Hausmannite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Mo4+ is bonded to six P1- atoms to form MoP6 octahedra that share corners with six equivalent PMo2P2 tetrahedra and edges with two equivalent MoP6 octahedra. There are a spread of Mo–P bond distances ranging from 2.40–2.48 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted rectangular see-saw-like geometry to one Mo4+ and three P1- atoms. There are a spread of P–P bond distances ranging from 2.22–2.24 Å. In the second P1- site, P1- is bonded to two equivalent Mo4+ and two P1- atoms to form PMo2P2 tetrahedra that share corners with three equivalent MoP6 octahedra, corners with four equivalent PMo2P2 tetrahedra, and an edgeedge with one PMo2P2 tetrahedra. The corner-sharing octahedra tilt angles range from 54–62°. The P–P bond length is 2.21 Å.
DOI: 10.17188/1188019
title: Materials Data on LaAlGe by Materials Project

description: LaAlGe crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La is bonded to six Al and six equivalent Ge atoms to form a mixture of edge and face-sharing LaAl6Ge6 cuboctahedra. There are two shorter (3.30 Å) and four longer (3.33 Å) La–Al bond lengths. There are two shorter (3.30 Å) and four longer (3.33 Å) La–Ge bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent La and three Ge atoms. There are two shorter (3.30 Å) and four longer (3.33 Å) Al–La bond lengths. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent La and three Ge atoms. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. In the third Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent La and three equivalent Ge atoms. There are one shorter (2.48 Å) and two longer (2.51 Å) Al–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent La and three Al atoms. In the second Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent La and three Al atoms. There are two shorter (3.30 Å) and four longer (3.33 Å) Ge–La bond lengths. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to six equivalent La and three Al atoms. There are two shorter (3.30 Å) and four longer (3.33 Å) Ge–La bond lengths. Both Ge–Al bond lengths are 2.51 Å.
DOI: 10.17188/1188020
title: Materials Data on LiAl2Ir by Materials Project

description: LiIrAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Ir and eight equivalent Al atoms. All Li–Ir bond lengths are 3.02 Å. All Li–Al bond lengths are 2.62 Å. Ir is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Al atoms. All Ir–Al bond lengths are 2.62 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ir atoms.
DOI: 10.17188/1188021
title: Materials Data on NbNi3 by Materials Project

description: Ni3Nb is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nb is bonded to twelve Ni atoms to form NbNi12 cuboctahedra that share corners with four equivalent NbNi12 cuboctahedra, corners with eight equivalent NiNb4Ni8 cuboctahedra, edges with eight equivalent NbNi12 cuboctahedra, edges with sixteen equivalent NiNb4Ni8 cuboctahedra, faces with four equivalent NbNi12 cuboctahedra, and faces with fourteen NiNb4Ni8 cuboctahedra. There are four shorter (2.57 Å) and eight longer (2.62 Å) Nb–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Nb and eight equivalent Ni atoms to form distorted NiNb4Ni8 cuboctahedra that share corners with four equivalent NiNb4Ni8 cuboctahedra, corners with eight equivalent NbNi12 cuboctahedra, edges with twenty-four NiNb4Ni8 cuboctahedra, faces with six equivalent NbNi12 cuboctahedra, and faces with twelve NiNb4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.62 Å. In the second Ni site, Ni is bonded to four equivalent Nb and eight Ni atoms to form NiNb4Ni8 cuboctahedra that share corners with twelve equivalent NiNb4Ni8 cuboctahedra, edges with eight equivalent NbNi12 cuboctahedra, edges with sixteen NiNb4Ni8 cuboctahedra, faces with four equivalent NbNi12 cuboctahedra, and faces with fourteen NiNb4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.57 Å.
DOI: 10.17188/1188022
title: Materials Data on NbPt2 by Materials Project

description: NbPt2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Nb4+ is bonded in a distorted q6 geometry to ten equivalent Pt2- atoms. There are eight shorter (2.83 Å) and two longer (2.88 Å) Nb–Pt bond lengths. Pt2- is bonded to five equivalent Nb4+ and seven equivalent Pt2- atoms to form a mixture of distorted corner, edge, and face-sharing PtNb5Pt7 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.82–2.86 Å.
DOI: 10.17188/1188023
title: Materials Data on NbRh by Materials Project

description: NbRh is beta-prime cadmium gold structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Nb is bonded in a 12-coordinate geometry to eight equivalent Rh atoms. There are a spread of Nb–Rh bond distances ranging from 2.77–2.88 Å. Rh is bonded in a 12-coordinate geometry to eight equivalent Nb atoms.
DOI: 10.17188/1188024
title: Materials Data on NbRu by Materials Project

description: NbRu is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.76 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Nb atoms.
DOI: 10.17188/1188025
title: Materials Data on NbRu3 by Materials Project

description: Ru3Nb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nb is bonded to twelve equivalent Ru atoms to form NbRu12 cuboctahedra that share corners with twelve equivalent NbRu12 cuboctahedra, edges with twenty-four equivalent RuNb4Ru8 cuboctahedra, faces with six equivalent NbRu12 cuboctahedra, and faces with twelve equivalent RuNb4Ru8 cuboctahedra. All Nb–Ru bond lengths are 2.76 Å. Ru is bonded to four equivalent Nb and eight equivalent Ru atoms to form distorted RuNb4Ru8 cuboctahedra that share corners with twelve equivalent RuNb4Ru8 cuboctahedra, edges with eight equivalent NbRu12 cuboctahedra, edges with sixteen equivalent RuNb4Ru8 cuboctahedra, faces with four equivalent NbRu12 cuboctahedra, and faces with fourteen equivalent RuNb4Ru8 cuboctahedra. All Ru–Ru bond lengths are 2.76 Å.
DOI: 10.17188/1188026
title: Materials Data on NiSnRh2 by Materials Project

description: Rh2NiSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rh is bonded in a body-centered cubic geometry to four equivalent Ni and four equivalent Sn atoms. All Rh–Ni bond lengths are 2.69 Å. All Rh–Sn bond lengths are 2.69 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1188027
title: Materials Data on TiRh3 by Materials Project

description: Rh3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded to twelve equivalent Rh atoms to form TiRh12 cuboctahedra that share corners with twelve equivalent TiRh12 cuboctahedra, edges with twenty-four equivalent RhTi4Rh8 cuboctahedra, faces with six equivalent TiRh12 cuboctahedra, and faces with twelve equivalent RhTi4Rh8 cuboctahedra. All Ti–Rh bond lengths are 2.73 Å. Rh is bonded to four equivalent Ti and eight equivalent Rh atoms to form distorted RhTi4Rh8 cuboctahedra that share corners with twelve equivalent RhTi4Rh8 cuboctahedra, edges with eight equivalent TiRh12 cuboctahedra, edges with sixteen equivalent RhTi4Rh8 cuboctahedra, faces with four equivalent TiRh12 cuboctahedra, and faces with fourteen equivalent RhTi4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.73 Å.
DOI: 10.17188/1188028
title: Materials Data on YNiSb by Materials Project

description: NiYSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Y is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Sb atoms. All Y–Ni bond lengths are 2.76 Å. All Y–Sb bond lengths are 3.18 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent Sb atoms. All Ni–Sb bond lengths are 2.76 Å. Sb is bonded in a distorted q6 geometry to six equivalent Y and four equivalent Ni atoms.