cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1310166
title: Materials Data on NaAcAu2 by Materials Project

description: NaAcAu2 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 3.25 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Ac–Au bond lengths are 3.25 Å. Au is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ac atoms.
DOI: 10.17188/1310167
title: Materials Data on LiTbHg2 by Materials Project

description: LiTbHg2 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 Hg atoms. All Li–Hg bond lengths are 3.09 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Tb–Hg bond lengths are 3.09 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tb atoms.
DOI: 10.17188/1310168
title: Materials Data on Nd2CuIr by Materials Project

description: Nd2IrCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Cu atoms. All Nd–Ir bond lengths are 3.08 Å. All Nd–Cu bond lengths are 3.08 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
DOI: 10.17188/1310169
title: Materials Data on NaAcHg2 by Materials Project

description: NaAcHg2 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 3.38 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Ac–Hg bond lengths are 3.38 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ac atoms.
DOI: 10.17188/1310170
title: Materials Data on HfZnNi2 by Materials Project

description: HfNi2Zn 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 Ni atoms. All Hf–Ni bond lengths are 2.63 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Hf and four equivalent Zn atoms. All Ni–Zn bond lengths are 2.63 Å. Zn is bonded in a distorted body-centered cubic geometry to eight equivalent Ni atoms.
DOI: 10.17188/1310171
title: Materials Data on TbInPd2 by Materials Project

description: TbPd2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Tb–Pd bond lengths are 2.96 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent In atoms. All Pd–In bond lengths are 2.96 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.
DOI: 10.17188/1310179
title: Materials Data on AcZn3 by Materials Project

description: AcZn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ac is bonded in a 12-coordinate geometry to twelve equivalent Zn atoms. There are six shorter (3.27 Å) and six longer (3.49 Å) Ac–Zn bond lengths. Zn is bonded in a 10-coordinate geometry to four equivalent Ac and six equivalent Zn atoms. There are four shorter (2.73 Å) and two longer (2.76 Å) Zn–Zn bond lengths.
DOI: 10.17188/1310180
title: Materials Data on LiTbAu2 by Materials Project

description: LiTbAu2 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 2.99 Å. Tb is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Tb–Au bond lengths are 2.99 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Tb atoms.
DOI: 10.17188/1310181
title: Materials Data on NbZnRh2 by Materials Project

description: NbRh2Zn 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 eight equivalent Rh atoms. All Nb–Rh bond lengths are 2.70 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Zn atoms. All Rh–Zn bond lengths are 2.70 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310182
title: Materials Data on NpSnRh2 by Materials Project

description: NpRh2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Np is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Np–Rh bond lengths are 2.88 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Np and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.88 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310183
title: Materials Data on Hf2CoIr by Materials Project

description: Hf2IrCo 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 Ir and four equivalent Co atoms. All Hf–Ir bond lengths are 2.78 Å. All Hf–Co bond lengths are 2.78 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1310184
title: Materials Data on Dy2Ni12P7 by Materials Project

description: Dy2Ni12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six equivalent P3- atoms to form distorted DyP6 pentagonal pyramids that share corners with six equivalent NiP5 square pyramids, corners with twelve NiP4 tetrahedra, edges with twelve NiP4 tetrahedra, and faces with two equivalent DyP6 pentagonal pyramids. All Dy–P bond lengths are 2.87 Å. In the second Dy3+ site, Dy3+ is bonded to six equivalent P3- atoms to form distorted DyP6 pentagonal pyramids that share corners with six equivalent NiP5 square pyramids, corners with twelve NiP4 tetrahedra, edges with three equivalent NiP5 square pyramids, edges with nine NiP4 tetrahedra, and faces with two equivalent DyP6 pentagonal pyramids. All Dy–P bond lengths are 2.86 Å. There are four inequivalent Ni+1.25+ sites. In the first Ni+1.25+ site, Ni+1.25+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with two equivalent DyP6 pentagonal pyramids, corners with four equivalent NiP5 square pyramids, corners with ten NiP4 tetrahedra, edges with three DyP6 pentagonal pyramids, an edgeedge with one NiP5 square pyramid, and edges with four NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.25–2.34 Å. In the second Ni+1.25+ site, Ni+1.25+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with two equivalent DyP6 pentagonal pyramids, corners with two equivalent NiP5 square pyramids, corners with twelve NiP4 tetrahedra, edges with three DyP6 pentagonal pyramids, edges with two equivalent NiP5 square pyramids, and edges with three NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.24–2.33 Å. In the third Ni+1.25+ site, Ni+1.25+ is bonded to five P3- atoms to form distorted NiP5 square pyramids that share corners with four DyP6 pentagonal pyramids, corners with four equivalent NiP5 square pyramids, corners with eight NiP4 tetrahedra, an edgeedge with one DyP6 pentagonal pyramid, edges with four equivalent NiP5 square pyramids, and edges with seven NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.29–2.54 Å. In the fourth Ni+1.25+ site, Ni+1.25+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with four DyP6 pentagonal pyramids, corners with two equivalent NiP5 square pyramids, corners with ten NiP4 tetrahedra, an edgeedge with one DyP6 pentagonal pyramid, edges with four equivalent NiP5 square pyramids, and edges with three NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.15–2.31 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Dy3+ and seven Ni+1.25+ atoms. In the second P3- site, P3- is bonded in a 3-coordinate geometry to nine Ni+1.25+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to two equivalent Dy3+ and seven Ni+1.25+ atoms.
DOI: 10.17188/1310185
title: Materials Data on Nd2CuRu by Materials Project

description: Nd2RuCu is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to four equivalent Ru and four equivalent Cu atoms. All Nd–Ru bond lengths are 3.07 Å. All Nd–Cu bond lengths are 3.07 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. Cu is bonded in a body-centered cubic geometry to eight equivalent Nd atoms.
DOI: 10.17188/1310186
title: Materials Data on Zn2PdRh by Materials Project

description: RhPdZn2 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 eight equivalent Zn atoms. All Rh–Zn bond lengths are 2.63 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pd–Zn bond lengths are 2.63 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Pd atoms.
DOI: 10.17188/1310187
title: Materials Data on NbZnRu2 by Materials Project

description: NbRu2Zn 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 eight equivalent Ru atoms. All Nb–Ru bond lengths are 2.69 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Zn atoms. All Ru–Zn bond lengths are 2.69 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ru atoms.
DOI: 10.17188/1310188
title: Materials Data on Nb4Ni2C by Materials Project

description: Nb4Ni2C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted bent 150 degrees geometry to four equivalent Ni and two equivalent C atoms. There are two shorter (2.83 Å) and two longer (3.07 Å) Nb–Ni bond lengths. Both Nb–C bond lengths are 2.19 Å. In the second Nb site, Nb is bonded in a distorted hexagonal planar geometry to six equivalent Ni atoms. All Nb–Ni bond lengths are 2.52 Å. Ni is bonded in a 12-coordinate geometry to nine Nb and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.65 Å. C is bonded to six equivalent Nb atoms to form corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 37°.
DOI: 10.17188/1310189
title: Materials Data on Zn2RhAu by Materials Project

description: RhAuZn2 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 eight equivalent Zn atoms. All Rh–Zn bond lengths are 2.68 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Au–Zn bond lengths are 2.68 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Au atoms.
DOI: 10.17188/1310190
title: Materials Data on NbZnCo2 by Materials Project

description: NbCo2Zn 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 eight equivalent Co atoms. All Nb–Co bond lengths are 2.57 Å. Co is bonded in a body-centered cubic geometry to four equivalent Nb and four equivalent Zn atoms. All Co–Zn bond lengths are 2.57 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Co atoms.
DOI: 10.17188/1310191
title: Materials Data on TbInRh2 by Materials Project

description: TbRh2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tb is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Tb–Rh bond lengths are 2.89 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent In atoms. All Rh–In bond lengths are 2.89 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.
DOI: 10.17188/1310192
title: Materials Data on Hf2CoRe by Materials Project

description: Hf2ReCo 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 Re and four equivalent Co atoms. All Hf–Re bond lengths are 2.79 Å. All Hf–Co bond lengths are 2.79 Å. Re is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Co is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1310193
title: Materials Data on ZrAlAu2 by Materials Project

description: ZrAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Zr–Au bond lengths are 2.89 Å. Au is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Al atoms. All Au–Al bond lengths are 2.89 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1310194
title: Materials Data on NbC2NCl8 by Materials Project

description: NbCNCl5CCl3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four chloroform molecules and four NbCNCl5 clusters. In each NbCNCl5 cluster, Nb5+ is bonded in an octahedral geometry to one N3- and five Cl1- atoms. The Nb–N bond length is 2.37 Å. There are a spread of Nb–Cl bond distances ranging from 2.29–2.37 Å. C3+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a distorted linear geometry to one Nb5+ and one C3+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Nb5+ atom.
DOI: 10.17188/1310195
title: Materials Data on Yb2PdRh by Materials Project

description: Yb2RhPd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Pd atoms. All Yb–Rh bond lengths are 2.94 Å. All Yb–Pd bond lengths are 2.94 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Pd is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1310196
title: Materials Data on MgSnPd2 by Materials Project

description: MgPd2Sn 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 and six equivalent Sn atoms. All Mg–Pd bond lengths are 2.82 Å. All Mg–Sn bond lengths are 3.25 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.82 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Pd atoms.
DOI: 10.17188/1310197
title: Materials Data on DyCdHg2 by Materials Project

description: DyHg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Dy–Hg bond lengths are 3.13 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Dy and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.13 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1310198
title: Materials Data on Dy2NiIr by Materials Project

description: Dy2IrNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Dy is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ni atoms. All Dy–Ir bond lengths are 2.95 Å. All Dy–Ni bond lengths are 2.95 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Dy atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Dy atoms.
DOI: 10.17188/1310199
title: Materials Data on MgH4(NO4)2 by Materials Project

description: MgH4(NO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one MgH4(NO4)2 sheet oriented in the (1, 0, 0) direction. Mg2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Mg–O bond distances ranging from 2.05–2.14 Å. N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.24–1.28 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 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Mg2+ and one N5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N5+ atom. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Mg2+ and one N5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mg2+ and two H1+ atoms.
DOI: 10.17188/1310200
title: Materials Data on Dy2Mg by Materials Project

description: MgDy2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to eight Dy atoms. There are a spread of Mg–Dy bond distances ranging from 3.28–3.34 Å. There are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 12-coordinate geometry to six equivalent Mg and four equivalent Dy atoms. There are two shorter (3.56 Å) and two longer (3.59 Å) Dy–Dy bond lengths. In the second Dy site, Dy is bonded to two equivalent Mg and ten Dy atoms to form a mixture of distorted face, edge, and corner-sharing DyDy10Mg2 cuboctahedra. There are four shorter (3.40 Å) and two longer (3.68 Å) Dy–Dy bond lengths.
DOI: 10.17188/1310201
title: Materials Data on ZrZn3 by Materials Project

description: Zn3Zr crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded to twelve Zn atoms to form a mixture of face and corner-sharing ZrZn12 cuboctahedra. There are six shorter (2.83 Å) and six longer (2.95 Å) Zr–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Zr and eight equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.72–3.09 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Zr and eight equivalent Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.72–3.09 Å.
DOI: 10.17188/1310202
title: Materials Data on Hf2FeIr by Materials Project

description: Hf2FeIr 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 Fe and four equivalent Ir atoms. All Hf–Fe bond lengths are 2.80 Å. All Hf–Ir bond lengths are 2.80 Å. Fe is bonded in a body-centered cubic geometry to eight equivalent Hf atoms. Ir is bonded in a body-centered cubic geometry to eight equivalent Hf atoms.
DOI: 10.17188/1310203
title: Materials Data on NaPO3 by Materials Project

description: NaPO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.28–2.81 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with five PO4 tetrahedra, edges with two equivalent NaO6 octahedra, and an edgeedge with one PO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.35–2.57 Å. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six PO4 tetrahedra and edges with four NaO6 octahedra. There are a spread of Na–O bond distances ranging from 2.40–2.47 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three NaO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 49–69°. There are a spread of P–O bond distances ranging from 1.49–1.63 Å. In the second P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with five NaO6 octahedra and corners with two PO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–70°. There are a spread of P–O bond distances ranging from 1.50–1.62 Å. In the third P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with three NaO6 octahedra, corners with two PO4 tetrahedra, and an edgeedge with one NaO6 octahedra. The corner-sharing octahedra tilt angles range from 11–62°. There is two shorter (1.50 Å) and two longer (1.63 Å) P–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Na1+ and one P5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Na1+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two P5+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two P5+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two P5+ atoms. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one P5+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one P5+ atom.
DOI: 10.17188/1310204
title: Materials Data on NdAgAu2 by Materials Project

description: NdAu2Ag is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Nd–Au bond lengths are 3.07 Å. Au is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Ag atoms. All Au–Ag bond lengths are 3.07 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1310205
title: Materials Data on NdAgHg2 by Materials Project

description: NdAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Nd–Ag bond lengths are 3.63 Å. All Nd–Hg bond lengths are 3.14 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Nd and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.14 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Nd and four equivalent Ag atoms.