cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1705820
title: Materials Data on YN3O14 by Materials Project

description: YN3O14 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one YN3O14 cluster. Y is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Y–O bond distances ranging from 2.32–2.61 Å. There are three inequivalent N sites. In the first N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.23–1.29 Å. In the second N site, N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.22–1.30 Å. In the third N site, N is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.23 Å) and two longer (1.28 Å) N–O bond length. There are fourteen inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Y and one O atom. The O–O bond length is 2.07 Å. In the second O site, O is bonded in a distorted water-like geometry to two O atoms. The O–O bond length is 2.02 Å. In the third O site, O is bonded in a distorted single-bond geometry to one Y and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one Y and one N atom. In the fifth O site, O is bonded in a single-bond geometry to one N atom. In the sixth O site, O is bonded in a distorted water-like geometry to one Y and one N atom. In the seventh O site, O is bonded in a distorted L-shaped geometry to one Y and one N atom. In the eighth O site, O is bonded in a single-bond geometry to one N atom. In the ninth O site, O is bonded in a distorted single-bond geometry to one Y and one N atom. In the tenth O site, O is bonded in a distorted water-like geometry to one Y and one N atom. In the eleventh O site, O is bonded in a single-bond geometry to one N atom. In the twelfth O site, O is bonded in a single-bond geometry to one Y atom. In the thirteenth O site, O is bonded in a single-bond geometry to one Y and one O atom. In the fourteenth O site, O is bonded in a single-bond geometry to one Y atom.
DOI: 10.17188/1705821
title: Materials Data on BaNaVS4 by Materials Project

description: NaBaVS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Na1+ is bonded to six S2- atoms to form distorted NaS6 pentagonal pyramids that share corners with four equivalent VS4 tetrahedra, edges with two equivalent NaS6 pentagonal pyramids, and an edgeedge with one VS4 tetrahedra. There are a spread of Na–S bond distances ranging from 2.87–3.33 Å. Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.19–3.46 Å. V5+ is bonded to four S2- atoms to form VS4 tetrahedra that share corners with four equivalent NaS6 pentagonal pyramids and an edgeedge with one NaS6 pentagonal pyramid. There are two shorter (2.15 Å) and two longer (2.17 Å) V–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Na1+, two equivalent Ba2+, and one V5+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Na1+, three equivalent Ba2+, and one V5+ atom. In the third S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Na1+, two equivalent Ba2+, and one V5+ atom. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to one Na1+, two equivalent Ba2+, and one V5+ atom.
DOI: 10.17188/1705822
title: Materials Data on Be2NiPd by Materials Project

description: Be2PdNi crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Be2PdNi ribbons oriented in the (0, 1, 0) direction. Be is bonded in a linear geometry to one Pd and one Ni atom. The Be–Pd bond length is 2.11 Å. The Be–Ni bond length is 2.06 Å. Pd is bonded in a linear geometry to two equivalent Be atoms. Ni is bonded in a linear geometry to two equivalent Be atoms.
DOI: 10.17188/1705823
title: Materials Data on NaCrF4 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: 10.17188/1705824
title: Materials Data on BaHoFe4O7 by Materials Project

description: BaHoFe4O7 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent O2- atoms to form BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, edges with twelve equivalent FeO4 tetrahedra, and faces with four equivalent HoO6 octahedra. All Ba–O bond lengths are 3.24 Å. Ho3+ is bonded to six equivalent O2- atoms to form HoO6 octahedra that share corners with twelve equivalent FeO4 tetrahedra and faces with four equivalent BaO12 cuboctahedra. All Ho–O bond lengths are 2.26 Å. Fe+2.25+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with three equivalent HoO6 octahedra, corners with six equivalent FeO4 tetrahedra, and edges with three equivalent BaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 51°. There are three shorter (1.98 Å) and one longer (2.10 Å) Fe–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ba2+, one Ho3+, and two equivalent Fe+2.25+ atoms. In the second O2- site, O2- is bonded in a tetrahedral geometry to four equivalent Fe+2.25+ atoms.
DOI: 10.17188/1705825
title: Materials Data on LiGaPO4F by Materials Project

description: LiGaPO4F crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a 6-coordinate geometry to five O2- and one F1- atom. There are a spread of Li–O bond distances ranging from 2.00–2.73 Å. The Li–F bond length is 1.91 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- and two equivalent F1- atoms to form GaO4F2 octahedra that share corners with two equivalent GaO4F2 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. There is two shorter (1.93 Å) and two longer (1.98 Å) Ga–O bond length. Both Ga–F bond lengths are 1.97 Å. In the second Ga3+ site, Ga3+ is bonded to four O2- and two equivalent F1- atoms to form GaO4F2 octahedra that share corners with two equivalent GaO4F2 octahedra and corners with four equivalent PO4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. All Ga–O bond lengths are 1.96 Å. Both Ga–F bond lengths are 1.98 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four GaO4F2 octahedra. The corner-sharing octahedra tilt angles range from 35–54°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Ga3+, and one P5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Li1+, one Ga3+, and one P5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, one Ga3+, and one P5+ atom. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Li1+, one Ga3+, and one P5+ atom. F1- is bonded in a distorted trigonal non-coplanar geometry to one Li1+ and two Ga3+ atoms.
DOI: 10.17188/1705826
title: Materials Data on LiMnN 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: 10.17188/1705827
title: Materials Data on MnSi7N10 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: 10.17188/1705828
title: Materials Data on Tl4CuTeO6 by Materials Project

description: Tl4CuTeO6 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cu2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Cu–O bond distances ranging from 1.96–2.57 Å. There are four inequivalent Tl1+ sites. In the first Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Tl–O bond distances ranging from 2.45–3.15 Å. In the second Tl1+ site, Tl1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Tl–O bond distances ranging from 2.47–2.62 Å. In the third Tl1+ site, Tl1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Tl–O bond distances ranging from 2.46–3.33 Å. In the fourth Tl1+ site, Tl1+ is bonded in a 2-coordinate geometry to two O2- atoms. There are one shorter (2.50 Å) and one longer (2.61 Å) Tl–O bond lengths. Te6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.02 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to three Tl1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Tl1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Cu2+, one Tl1+, and one Te6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Cu2+, four Tl1+, and one Te6+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cu2+, two Tl1+, and one Te6+ atom. In the sixth O2- site, O2- is bonded in a tetrahedral geometry to one Cu2+, two Tl1+, and one Te6+ atom.
DOI: 10.17188/1705829
title: Materials Data on Sm4MnS7 by Materials Project

description: Sm4MnS7 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are one shorter (2.63 Å) and three longer (2.65 Å) Sm–S bond lengths. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Sm–S bond distances ranging from 2.70–3.17 Å. Mn2+ is bonded to six equivalent S2- atoms to form face-sharing MnS6 octahedra. There are three shorter (2.54 Å) and three longer (2.76 Å) Mn–S bond lengths. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to four Sm3+ atoms. In the second S2- site, S2- is bonded to four Sm3+ atoms to form corner-sharing SSm4 tetrahedra. In the third S2- site, S2- is bonded to three equivalent Sm3+ and two equivalent Mn2+ atoms to form distorted SSm3Mn2 square pyramids that share corners with two equivalent SSm3Mn2 square pyramids, corners with three equivalent SSm4 tetrahedra, edges with four equivalent SSm3Mn2 square pyramids, and faces with two equivalent SSm3Mn2 square pyramids.
DOI: 10.17188/1705830
title: Materials Data on CsPb2Br5 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: 10.17188/1705831
title: Materials Data on LiH4SNO4 by Materials Project

description: LiNH4SO4 crystallizes in the orthorhombic Pca2_1 space group. The structure is two-dimensional and consists of eight ammonium molecules and two LiSO4 sheets oriented in the (0, 0, 1) direction. In each LiSO4 sheet, there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with four SO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.00 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra and corners with four SO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.00 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four LiO4 tetrahedra. There is one shorter (1.48 Å) and three longer (1.50 Å) S–O bond length. In the second S2- site, S2- is bonded to four O2- atoms to form SO4 tetrahedra that share corners with four LiO4 tetrahedra. There is one shorter (1.48 Å) and three longer (1.50 Å) S–O bond length. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one S2- atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one S2- atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one S2- atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one S2- atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one S2- atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Li1+ and one S2- atom. In the eighth O2- site, O2- is bonded in a trigonal planar geometry to two Li1+ and one S2- atom.
DOI: 10.17188/1705832
title: Materials Data on PuMgO3 by Materials Project

description: MgPuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight equivalent PuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 1.91 Å. Pu4+ is bonded to twelve equivalent O2- atoms to form PuO12 cuboctahedra that share corners with twelve equivalent PuO12 cuboctahedra, faces with six equivalent PuO12 cuboctahedra, and faces with eight equivalent MgO6 octahedra. All Pu–O bond lengths are 2.71 Å. O2- is bonded in a distorted linear geometry to two equivalent Mg2+ and four equivalent Pu4+ atoms.
DOI: 10.17188/1705833
title: Materials Data on LiV3O4 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: 10.17188/1705835
title: Materials Data on VH14C4NO2F3 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: 10.17188/1705836
title: Materials Data on Nd2(Ga3Co)3 by Materials Project

description: Nd2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Nd–Ga bond distances ranging from 3.01–3.08 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are two shorter (2.56 Å) and six longer (2.57 Å) Co–Ga bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.54–2.58 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Nd, three Co, and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.76–2.86 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Nd, three Co, and five Ga atoms. There are one shorter (2.67 Å) and two longer (2.84 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Nd, two equivalent Co, and six Ga atoms. Both Ga–Ga bond lengths are 2.74 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Nd, two equivalent Co, and six Ga atoms. The Ga–Ga bond length is 2.74 Å.
DOI: 10.17188/1705837
title: Materials Data on Y(InCu)6 by Materials Project

description: YCu6In6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Y is bonded to twelve Cu and eight In atoms to form distorted YIn8Cu12 hexagonal bipyramids that share corners with eight equivalent YIn8Cu12 hexagonal bipyramids, faces with sixteen equivalent CuY2In6Cu4 cuboctahedra, and faces with two equivalent YIn8Cu12 hexagonal bipyramids. There are eight shorter (3.52 Å) and four longer (3.53 Å) Y–Cu bond lengths. There are a spread of Y–In bond distances ranging from 3.08–3.24 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to two equivalent Y, four Cu, and six In atoms to form distorted CuY2In6Cu4 cuboctahedra that share corners with ten equivalent CuY2In6Cu4 cuboctahedra, edges with four equivalent CuY2In6Cu4 cuboctahedra, faces with six equivalent CuY2In6Cu4 cuboctahedra, and faces with four equivalent YIn8Cu12 hexagonal bipyramids. There are two shorter (2.69 Å) and two longer (2.78 Å) Cu–Cu bond lengths. There are two shorter (2.74 Å) and four longer (2.80 Å) Cu–In bond lengths. In the second Cu site, Cu is bonded in a 12-coordinate geometry to two equivalent Y, four equivalent Cu, and six In atoms. There are a spread of Cu–In bond distances ranging from 2.74–2.92 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 8-coordinate geometry to one Y, six Cu, and one In atom. The In–In bond length is 2.96 Å. In the second In site, In is bonded in a 10-coordinate geometry to one Y and six Cu atoms. In the third In site, In is bonded in a 8-coordinate geometry to two equivalent Y and six Cu atoms.
DOI: 10.17188/1705838
title: Materials Data on Ca3Y by Materials Project

description: Ca3Y is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Y atoms to form CaCa8Y4 cuboctahedra that share corners with twelve equivalent CaCa8Y4 cuboctahedra, edges with eight equivalent YCa12 cuboctahedra, edges with sixteen equivalent CaCa8Y4 cuboctahedra, faces with four equivalent YCa12 cuboctahedra, and faces with fourteen equivalent CaCa8Y4 cuboctahedra. All Ca–Ca bond lengths are 3.83 Å. All Ca–Y bond lengths are 3.83 Å. Y is bonded to twelve equivalent Ca atoms to form YCa12 cuboctahedra that share corners with twelve equivalent YCa12 cuboctahedra, edges with twenty-four equivalent CaCa8Y4 cuboctahedra, faces with six equivalent YCa12 cuboctahedra, and faces with twelve equivalent CaCa8Y4 cuboctahedra.
DOI: 10.17188/1705839
title: Materials Data on FePH6NO5 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: 10.17188/1705840
title: Materials Data on FeBiO3 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: 10.17188/1705841
title: Materials Data on Ca4Al6WO16 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: 10.17188/1705843
title: Materials Data on La5P12Ir19 by Materials Project

description: La5Ir19P12 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 8-coordinate geometry to ten Ir and six P atoms. There are a spread of La–Ir bond distances ranging from 3.13–3.41 Å. There are two shorter (3.04 Å) and four longer (3.11 Å) La–P bond lengths. In the second La site, La is bonded in a 6-coordinate geometry to nine Ir and six equivalent P atoms. There are six shorter (3.19 Å) and three longer (3.20 Å) La–Ir bond lengths. All La–P bond lengths are 3.03 Å. There are five inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent La and three equivalent P atoms. All Ir–P bond lengths are 2.34 Å. In the second Ir site, Ir is bonded in a distorted single-bond geometry to eight Ir and five P atoms. There are a spread of Ir–Ir bond distances ranging from 2.87–3.01 Å. There are one shorter (2.28 Å) and four longer (2.89 Å) Ir–P bond lengths. In the third Ir site, Ir is bonded in a 12-coordinate geometry to two equivalent La, six Ir, and four P atoms. All Ir–Ir bond lengths are 2.85 Å. There are two shorter (2.36 Å) and two longer (2.43 Å) Ir–P bond lengths. In the fourth Ir site, Ir is bonded in a 12-coordinate geometry to three La, five Ir, and four P atoms. Both Ir–Ir bond lengths are 2.87 Å. There are one shorter (2.44 Å) and three longer (2.45 Å) Ir–P bond lengths. In the fifth Ir site, Ir is bonded in a 12-coordinate geometry to three La, five Ir, and four P atoms. The Ir–Ir bond length is 2.87 Å. There are a spread of Ir–P bond distances ranging from 2.32–2.61 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four equivalent La and five Ir atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent La and seven Ir atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent La and seven Ir atoms.
DOI: 10.17188/1705845
title: Materials Data on NiAgO2 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: 10.17188/1705846
title: Materials Data on Li3TaF6 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: 10.17188/1705847
title: Materials Data on Er3Mn3Ga2Ge by Materials Project

description: Er3Mn3GeGa2 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. Er is bonded in a 5-coordinate geometry to six equivalent Mn, three Ga, and two equivalent Ge atoms. There are a spread of Er–Mn bond distances ranging from 3.19–3.30 Å. All Er–Ga bond lengths are 2.94 Å. Both Er–Ge bond lengths are 2.93 Å. Mn is bonded in a 12-coordinate geometry to six equivalent Er, two equivalent Mn, three Ga, and one Ge atom. Both Mn–Mn bond lengths are 2.78 Å. There are two shorter (2.61 Å) and one longer (2.78 Å) Mn–Ga bond lengths. The Mn–Ge bond length is 2.75 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Mn atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Er and six equivalent Mn atoms. Ge is bonded in a 9-coordinate geometry to six equivalent Er and three equivalent Mn atoms.