cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1721074
title: Materials Data on Rb2ScInF6 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: 10.17188/1721075
title: Materials Data on Rb2Si5NiO12 by Materials Project

description: Rb2NiSi5O12 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Rb–O bond distances ranging from 3.04–3.47 Å. In the second Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.89–3.65 Å. Ni2+ is bonded to four O2- atoms to form NiO4 tetrahedra that share corners with four SiO4 tetrahedra. There is two shorter (1.96 Å) and two longer (1.97 Å) Ni–O bond length. There are five inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one NiO4 tetrahedra and corners with three SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.67 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one NiO4 tetrahedra and corners with three SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. In the third Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. In the fourth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one NiO4 tetrahedra and corners with three SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.66 Å. In the fifth Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one NiO4 tetrahedra and corners with three SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.60–1.65 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Rb1+ and two Si4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Ni2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two Si4+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two Si4+ atoms. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two Si4+ atoms. In the seventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Rb1+ and two Si4+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one Rb1+, one Ni2+, and one Si4+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one Ni2+, and one Si4+ atom. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Rb1+, one Ni2+, and one Si4+ atom. In the eleventh O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Rb1+ and two Si4+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to one Rb1+ and two Si4+ atoms.
DOI: 10.17188/1721076
title: Materials Data on LiVP4(H2O7)2 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: 10.17188/1721077
title: Materials Data on La3Ag by Materials Project

description: La3Ag is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La is bonded in a distorted square co-planar geometry to four equivalent Ag atoms. All La–Ag bond lengths are 3.55 Å. Ag is bonded to twelve equivalent La atoms to form a mixture of face and corner-sharing AgLa12 cuboctahedra.
DOI: 10.17188/1721078
title: Materials Data on PrSm by Materials Project

description: SmPr is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sm is bonded to six equivalent Sm and six equivalent Pr atoms to form SmPr6Sm6 cuboctahedra that share corners with eighteen equivalent SmPr6Sm6 cuboctahedra, edges with six equivalent SmPr6Sm6 cuboctahedra, edges with twelve equivalent PrPr6Sm6 cuboctahedra, faces with eight equivalent SmPr6Sm6 cuboctahedra, and faces with twelve equivalent PrPr6Sm6 cuboctahedra. All Sm–Sm bond lengths are 3.68 Å. All Sm–Pr bond lengths are 3.70 Å. Pr is bonded to six equivalent Sm and six equivalent Pr atoms to form PrPr6Sm6 cuboctahedra that share corners with eighteen equivalent PrPr6Sm6 cuboctahedra, edges with six equivalent PrPr6Sm6 cuboctahedra, edges with twelve equivalent SmPr6Sm6 cuboctahedra, faces with eight equivalent PrPr6Sm6 cuboctahedra, and faces with twelve equivalent SmPr6Sm6 cuboctahedra. All Pr–Pr bond lengths are 3.68 Å.
DOI: 10.17188/1721079
title: Materials Data on NdCrS2O 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: 10.17188/1721080
title: Materials Data on U2Al3Fe by Materials Project

description: U2FeAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U is bonded in a 3-coordinate geometry to three equivalent U, three equivalent Fe, and nine equivalent Al atoms. All U–U bond lengths are 3.11 Å. All U–Fe bond lengths are 3.03 Å. There are three shorter (3.06 Å) and six longer (3.18 Å) U–Al bond lengths. Fe is bonded to six equivalent U and six equivalent Al atoms to form FeU6Al6 cuboctahedra that share corners with six equivalent FeU6Al6 cuboctahedra, corners with twelve equivalent AlU6Al4Fe2 cuboctahedra, edges with six equivalent FeU6Al6 cuboctahedra, and faces with eighteen equivalent AlU6Al4Fe2 cuboctahedra. All Fe–Al bond lengths are 2.71 Å. Al is bonded to six equivalent U, two equivalent Fe, and four equivalent Al atoms to form AlU6Al4Fe2 cuboctahedra that share corners with four equivalent FeU6Al6 cuboctahedra, corners with fourteen equivalent AlU6Al4Fe2 cuboctahedra, edges with six equivalent AlU6Al4Fe2 cuboctahedra, faces with six equivalent FeU6Al6 cuboctahedra, and faces with twelve equivalent AlU6Al4Fe2 cuboctahedra. All Al–Al bond lengths are 2.60 Å.
DOI: 10.17188/1721081
title: Materials Data on BaLa3Mn4O12 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: 10.17188/1721083
title: Materials Data on Ce4CoS7 by Materials Project

description: Ce4CoS7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ce–S bond distances ranging from 2.75–3.39 Å. In the second Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ce–S bond distances ranging from 2.74–3.40 Å. In the third Ce3+ site, Ce3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Ce–S bond distances ranging from 2.72–3.37 Å. In the fourth Ce3+ site, Ce3+ is bonded in a 4-coordinate geometry to five S2- atoms. There are a spread of Ce–S bond distances ranging from 2.67–3.32 Å. Co2+ is bonded in a trigonal planar geometry to three S2- atoms. There are one shorter (2.19 Å) and two longer (2.21 Å) Co–S bond lengths. There are seven inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ce3+ and one Co2+ atom. In the second S2- site, S2- is bonded in a 5-coordinate geometry to three Ce3+ and one Co2+ atom. In the third S2- site, S2- is bonded to three Ce3+ and one Co2+ atom to form distorted corner-sharing SCe3Co trigonal pyramids. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to four Ce3+ atoms. In the fifth S2- site, S2- is bonded in a 4-coordinate geometry to four Ce3+ atoms. In the sixth S2- site, S2- is bonded in a 4-coordinate geometry to four Ce3+ atoms. In the seventh S2- site, S2- is bonded to four Ce3+ atoms to form corner-sharing SCe4 tetrahedra.
DOI: 10.17188/1721084
title: Materials Data on P2PbO9 by Materials Project

description: (PbP2O8)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two PbP2O8 sheets oriented in the (0, 0, 1) direction. In each PbP2O8 sheet, Pb is bonded to six O atoms to form PbO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.16–2.25 Å. There are two inequivalent P sites. In the first P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent PbO6 octahedra. The corner-sharing octahedra tilt angles range from 39–50°. There is three shorter (1.55 Å) and one longer (1.56 Å) P–O bond length. In the second P site, P is bonded to four O atoms to form PO4 tetrahedra that share corners with three equivalent PbO6 octahedra. The corner-sharing octahedra tilt angles range from 45–49°. There are a spread of P–O bond distances ranging from 1.55–1.59 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Pb and one P atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Pb and one P atom. In the third O site, O is bonded in a single-bond geometry to one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Pb and one P atom. In the fifth O site, O is bonded in a distorted bent 120 degrees geometry to one Pb and one P atom. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one Pb and one P atom. In the seventh O site, O is bonded in a single-bond geometry to one P atom. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Pb and one P atom.
DOI: 10.17188/1721085
title: Materials Data on Al2FeO4 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: 10.17188/1721086
title: Materials Data on KVCl3 by Materials Project

description: KVCl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent Cl1- atoms to form KCl12 cuboctahedra that share corners with six equivalent KCl12 cuboctahedra, corners with six equivalent VCl6 octahedra, faces with eight equivalent KCl12 cuboctahedra, and faces with six equivalent VCl6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are six shorter (3.50 Å) and six longer (3.76 Å) K–Cl bond lengths. V2+ is bonded to six equivalent Cl1- atoms to form VCl6 octahedra that share corners with six equivalent KCl12 cuboctahedra, faces with six equivalent KCl12 cuboctahedra, and faces with two equivalent VCl6 octahedra. All V–Cl bond lengths are 2.49 Å. Cl1- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent V2+ atoms.
DOI: 10.17188/1721087
title: Materials Data on Ca2HgPd by Materials Project

description: Ca2PdHg crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ca2PdHg ribbons oriented in the (1, 0, 0) direction. Ca is bonded in a linear geometry to one Pd and one Hg atom. The Ca–Pd bond length is 2.58 Å. The Ca–Hg bond length is 3.34 Å. Pd is bonded in a linear geometry to two equivalent Ca atoms. Hg is bonded in a linear geometry to two equivalent Ca atoms.
DOI: 10.17188/1721088
title: Materials Data on TbSnRh by Materials Project

description: TbRhSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Rh and six equivalent Sn atoms. There are four shorter (3.01 Å) and one longer (3.10 Å) Tb–Rh bond lengths. There are two shorter (3.18 Å) and four longer (3.33 Å) Tb–Sn bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.76 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Sn atoms. All Rh–Sn bond lengths are 2.85 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four Rh atoms.
DOI: 10.17188/1721091
title: Materials Data on Cs2MoN(Cl2O)2 by Materials Project

description: ONCsCs3Mo2NO3Cl8 crystallizes in the triclinic P1 space group. The structure is three-dimensional and consists of one ONCs cluster and one Cs3Mo2NO3Cl8 framework. In the ONCs cluster, Cs1+ is bonded in a 1-coordinate geometry to one O2- atom. The Cs–O bond length is 3.21 Å. N3+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.20 Å. O2- is bonded in a distorted linear geometry to one Cs1+ and one N3+ atom. In the Cs3Mo2NO3Cl8 framework, there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.65–3.79 Å. In the second Cs1+ site, Cs1+ is bonded in a 8-coordinate geometry to one O2- and eight Cl1- atoms. The Cs–O bond length is 3.73 Å. There are a spread of Cs–Cl bond distances ranging from 3.66–3.77 Å. In the third Cs1+ site, Cs1+ is bonded in a 1-coordinate geometry to two O2- and eight Cl1- atoms. There are one shorter (3.21 Å) and one longer (3.72 Å) Cs–O bond lengths. There are a spread of Cs–Cl bond distances ranging from 3.62–3.70 Å. There are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded in a distorted square pyramidal geometry to one O2- and four Cl1- atoms. The Mo–O bond length is 1.73 Å. All Mo–Cl bond lengths are 2.49 Å. In the second Mo3+ site, Mo3+ is bonded in a distorted square pyramidal geometry to one O2- and four Cl1- atoms. The Mo–O bond length is 1.73 Å. There are one shorter (2.48 Å) and three longer (2.49 Å) Mo–Cl bond lengths. N3+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two Cs1+ and one N3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Mo3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cs1+ and one Mo3+ atom. There are eight inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and one Mo3+ atom. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Cs1+ and one Mo3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and one Mo3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and one Mo3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and one Mo3+ atom. In the sixth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and one Mo3+ atom. In the seventh Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Cs1+ and one Mo3+ atom. In the eighth Cl1- site, Cl1- is bonded in a 1-coordinate geometry to three Cs1+ and one Mo3+ atom.
DOI: 10.17188/1721092
title: Materials Data on NbCr3(AgS4)2 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: 10.17188/1721093
title: Materials Data on Fe3O4 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: 10.17188/1721094
title: Materials Data on C3S2(OF2)2 by Materials Project

description: CF3C2S2O2F crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four fluoroform molecules and two C2S2O2F ribbons oriented in the (2, 0, 1) direction. In each C2S2O2F ribbon, there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted single-bond geometry to one S2- and one O2- atom. The C–S bond length is 1.80 Å. The C–O bond length is 1.21 Å. In the second C4+ site, C4+ is bonded in a distorted bent 120 degrees geometry to one S2-, one O2-, and one F1- atom. The C–S bond length is 1.77 Å. The C–O bond length is 1.20 Å. The C–F bond length is 1.38 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one C4+ and one S2- atom. The S–S bond length is 2.04 Å. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one C4+, one S2-, and one F1- atom. The S–F bond length is 3.38 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ and one S2- atom.
DOI: 10.17188/1721095
title: Materials Data on Rb2HgIrF6 by Materials Project

description: Rb2IrHgF6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rb1+ is bonded to twelve equivalent F1- atoms to form distorted RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, faces with four equivalent IrF6 octahedra, and faces with four equivalent HgF6 octahedra. All Rb–F bond lengths are 3.46 Å. Ir3+ is bonded to six equivalent F1- atoms to form IrF6 octahedra that share corners with six equivalent HgF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ir–F bond lengths are 1.97 Å. Hg1+ is bonded to six equivalent F1- atoms to form HgF6 octahedra that share corners with six equivalent IrF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–F bond lengths are 2.88 Å. F1- is bonded in a distorted single-bond geometry to four equivalent Rb1+, one Ir3+, and one Hg1+ atom.
DOI: 10.17188/1721097
title: Materials Data on Rb2MgCr2O14 by Materials Project

description: Rb2MgCr2O14 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.86–3.37 Å. Mg is bonded in an octahedral geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.23 Å. Cr is bonded in a tetrahedral geometry to four O atoms. There are a spread of Cr–O bond distances ranging from 1.62–1.89 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Rb and one Cr atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one Rb and one Cr atom. In the third O site, O is bonded in a single-bond geometry to one Rb and one Cr atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Rb, one Mg, and one O atom. The O–O bond length is 1.32 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to one Rb, one Cr, and one O atom. The O–O bond length is 1.35 Å. In the sixth O site, O is bonded in a 3-coordinate geometry to one Rb, one Mg, and one O atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one Mg and one O atom.
DOI: 10.17188/1721098
title: Materials Data on Li3Fe2CuO6 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: 10.17188/1721099
title: Materials Data on MgSi2 by Materials Project

description: MgSi2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Mg–Si bond distances ranging from 2.85–3.00 Å. In the second Mg site, Mg is bonded in a 3-coordinate geometry to two equivalent Mg and nine Si atoms. Both Mg–Mg bond lengths are 3.02 Å. There are a spread of Mg–Si bond distances ranging from 2.67–3.28 Å. In the third Mg site, Mg is bonded to seven Si atoms to form distorted face-sharing MgSi7 pentagonal bipyramids. There are a spread of Mg–Si bond distances ranging from 2.84–3.15 Å. In the fourth Mg site, Mg is bonded in a 1-coordinate geometry to two equivalent Mg and eight Si atoms. There are a spread of Mg–Si bond distances ranging from 2.63–3.03 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded to three Mg and three Si atoms to form distorted edge-sharing SiMg3Si3 octahedra. There are two shorter (2.39 Å) and one longer (2.40 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. There are two shorter (2.40 Å) and one longer (2.45 Å) Si–Si bond lengths. In the third Si site, Si is bonded in a 7-coordinate geometry to three Mg and four Si atoms. There are two shorter (2.41 Å) and one longer (2.43 Å) Si–Si bond lengths. In the fourth Si site, Si is bonded in a 6-coordinate geometry to three Mg and three Si atoms. Both Si–Si bond lengths are 2.41 Å. In the fifth Si site, Si is bonded to three Mg and three Si atoms to form distorted edge-sharing SiMg3Si3 octahedra. The Si–Si bond length is 2.46 Å. In the sixth Si site, Si is bonded in a 1-coordinate geometry to five Mg and three Si atoms. The Si–Si bond length is 2.42 Å. In the seventh Si site, Si is bonded in a 9-coordinate geometry to six Mg and three Si atoms. In the eighth Si site, Si is bonded in a 6-coordinate geometry to three Mg and four Si atoms.
DOI: 10.17188/1721100
title: Materials Data on Eu2BiAu by Materials Project

description: Eu2AuBi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Eu is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Bi atoms. All Eu–Au bond lengths are 3.38 Å. All Eu–Bi bond lengths are 3.38 Å. Au is bonded in a body-centered cubic geometry to eight equivalent Eu atoms. Bi is bonded in a body-centered cubic geometry to eight equivalent Eu atoms.
DOI: 10.17188/1721101
title: Materials Data on TiGeRh2 by Materials Project

description: TiRh2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Ti–Rh bond lengths are 2.67 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Ge atoms. All Rh–Ge bond lengths are 2.67 Å. Ge is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.