cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1655791
title: Materials Data on Ni(Pt3O4)4 by Materials Project

description: Ni(Pt3O4)4 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are five inequivalent Pt+2.50+ sites. In the first Pt+2.50+ site, Pt+2.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the second Pt+2.50+ site, Pt+2.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.02 Å. In the third Pt+2.50+ site, Pt+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.00 Å) and two longer (2.04 Å) Pt–O bond lengths. In the fourth Pt+2.50+ site, Pt+2.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.03 Å. In the fifth Pt+2.50+ site, Pt+2.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.00 Å. Ni2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ni–O bond lengths are 2.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pt+2.50+ and one Ni2+ atom to form a mixture of corner and edge-sharing ONiPt3 trigonal pyramids. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Pt+2.50+ atoms.
DOI: 10.5281/zenodo.4484319
title: Differentiation of human monocytes into macrophages (RNA-seq, Salmon 1.4.0, GENCODE 36)

description: RNA-seq of differentiation of human monocytes into macrophages as described in: Phanstiel et al "Static and Dynamic DNA Loops form AP-1-Bound Activation Hubs during Macrophage Development" Molecular Cell, Volume 67, Issue 6, 2017, Pages 1037-1048.e6. https://doi.org/10.1016/j.molcel.2017.08.006 See publication for full author list. Data from publication was reprocessed by Michael Love. Paired end reads were quantified with Salmon 1.4.0 and GENCODE 36 human transcripts.
description: {"references": ["Phanstiel et al \"Static and Dynamic DNA Loops form AP-1-Bound Activation Hubs during Macrophage Development\" Molecular Cell, Volume 67, Issue 6, 2017, Pages 1037-1048.e6."]}
DOI: 10.17188/1655792
title: Materials Data on Y3Ge13Pt4 by Materials Project

description: Y3Pt4Ge13 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to four Pt and twelve Ge atoms. There are a spread of Y–Pt bond distances ranging from 3.20–3.26 Å. There are a spread of Y–Ge bond distances ranging from 3.06–3.54 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Y and six Ge atoms. There are three shorter (2.57 Å) and three longer (2.58 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Y and six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.54–2.61 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Y, two equivalent Pt, and three Ge atoms. There are a spread of Ge–Ge bond distances ranging from 2.76–3.00 Å. In the second Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Y, two equivalent Pt, and two Ge atoms. There are one shorter (2.58 Å) and one longer (2.68 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 3-coordinate geometry to six Ge atoms. All Ge–Ge bond lengths are 2.85 Å. In the fourth Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Y, two Pt, and two Ge atoms. In the fifth Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Y, two Pt, and three Ge atoms.
DOI: 10.5281/zenodo.4484318
title: Differentiation of human monocytes into macrophages (RNA-seq, Salmon 1.4.0, GENCODE 36)

description: RNA-seq of differentiation of human monocytes into macrophages as described in: Phanstiel et al "Static and Dynamic DNA Loops form AP-1-Bound Activation Hubs during Macrophage Development" Molecular Cell, Volume 67, Issue 6, 2017, Pages 1037-1048.e6. https://doi.org/10.1016/j.molcel.2017.08.006 See publication for full author list. Data from publication was reprocessed by Michael Love. Paired end reads were quantified with Salmon 1.4.0 and GENCODE 36 human transcripts.
description: {"references": ["Phanstiel et al \"Static and Dynamic DNA Loops form AP-1-Bound Activation Hubs during Macrophage Development\" Molecular Cell, Volume 67, Issue 6, 2017, Pages 1037-1048.e6."]}
DOI: 10.17188/1655793
title: Materials Data on Li2V3TeO8 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: 10.17188/1655794
title: Materials Data on Hg(ClO7)2 by Materials Project

description: HgO6(ClO4)2 is Silicon tetrafluoride-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is zero-dimensional and consists of two ClO4 clusters and one HgO6 cluster. In each ClO4 cluster, there are two inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.47 Å. Cl is bonded in a tetrahedral geometry to four O atoms. In the HgO6 cluster, Hg is bonded in a distorted hexagonal planar geometry to six equivalent O atoms. All Hg–O bond lengths are 2.31 Å. O is bonded in a single-bond geometry to one Hg atom.
DOI: 10.17188/1655795
title: Materials Data on Er2SiRh3 by Materials Project

description: Er2Rh3Si crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to nine equivalent Rh atoms. There are three shorter (2.85 Å) and six longer (3.16 Å) Er–Rh bond lengths. Rh is bonded in a 12-coordinate geometry to six equivalent Er, four equivalent Rh, and two equivalent Si atoms. All Rh–Rh bond lengths are 2.79 Å. Both Rh–Si bond lengths are 2.51 Å. Si is bonded to six equivalent Rh atoms to form distorted corner-sharing SiRh6 cuboctahedra.
DOI: 10.17188/1655798
title: Materials Data on Y4Si2Ni13(SbO14)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: 10.17188/1655799
title: Materials Data on Li4Co3Sn2Sb3O16 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: 10.17188/1655801
title: Materials Data on Tb2SnAu2 by Materials Project

description: Tb2Au2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Tb is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.96 Å) and four longer (3.07 Å) Tb–Au bond lengths. All Tb–Sn bond lengths are 3.50 Å. Au is bonded in a 9-coordinate geometry to six equivalent Tb, one Au, and two equivalent Sn atoms. The Au–Au bond length is 2.83 Å. Both Au–Sn bond lengths are 3.12 Å. Sn is bonded to eight equivalent Tb and four equivalent Au atoms to form a mixture of face and corner-sharing SnTb8Au4 cuboctahedra.
DOI: 10.17188/1655802
title: Materials Data on Hf2TcIr by Materials Project

description: Hf2TcIr 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 Tc and four equivalent Ir atoms. All Hf–Tc bond lengths are 2.83 Å. All Hf–Ir bond lengths are 2.83 Å. Tc 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: 10.17188/1655803
title: Materials Data on VF4 by Materials Project

description: VF4 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two VF4 ribbons oriented in the (1, 0, 0) direction. V4+ is bonded to six F1- atoms to form edge-sharing VF6 octahedra. There are a spread of V–F bond distances ranging from 1.76–2.04 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a water-like geometry to two equivalent V4+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one V4+ atom. In the fourth F1- site, F1- is bonded in a water-like geometry to two equivalent V4+ atoms.
DOI: 10.17188/1655804
title: Materials Data on ErMn4(FeSn3)2 by Materials Project

description: ErMn4(FeSn3)2 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Er is bonded to four equivalent Fe and eight Sn atoms to form a mixture of distorted edge and face-sharing ErFe4Sn8 hexagonal bipyramids. All Er–Fe bond lengths are 3.53 Å. There are two shorter (3.02 Å) and six longer (3.15 Å) Er–Sn bond lengths. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 10-coordinate geometry to four equivalent Fe and six Sn atoms. All Mn–Fe bond lengths are 2.73 Å. There are a spread of Mn–Sn bond distances ranging from 2.74–2.84 Å. In the second Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.73–2.84 Å. In the third Mn site, Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.83 Å. Fe is bonded in a 12-coordinate geometry to two equivalent Er, two equivalent Mn, two equivalent Fe, and six Sn atoms. Both Fe–Fe bond lengths are 2.72 Å. There are a spread of Fe–Sn bond distances ranging from 2.73–2.84 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Er, four Mn, and two equivalent Fe atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to four Mn and two equivalent Fe atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Er, two equivalent Mn, four equivalent Fe, and one Sn atom. The Sn–Sn bond length is 3.00 Å. In the fourth Sn site, Sn is bonded in a 8-coordinate geometry to one Er, six Mn, and one Sn atom.
DOI: 10.17188/1655805
title: Materials Data on Y2TiCuO6 by Materials Project

description: Y2CuTiO6 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.20–2.56 Å. Ti4+ is bonded to five O2- atoms to form corner-sharing TiO5 trigonal bipyramids. There is two shorter (1.86 Å) and three longer (2.10 Å) Ti–O bond length. Cu2+ is bonded to five O2- atoms to form corner-sharing CuO5 trigonal bipyramids. There are two shorter (1.91 Å) and three longer (2.10 Å) Cu–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Y3+ and one Ti4+ atom. In the second O2- site, O2- is bonded to three equivalent Y3+ and one Cu2+ atom to form OY3Cu tetrahedra that share corners with seven equivalent OY3Cu tetrahedra and edges with three equivalent OY2Cu3 trigonal bipyramids. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ti4+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Y3+ and three equivalent Cu2+ atoms to form OY2Cu3 trigonal bipyramids that share corners with six equivalent OY2Cu3 trigonal bipyramids and edges with six equivalent OY3Cu tetrahedra.
DOI: 10.17188/1655806
title: Materials Data on Al2CrB2Mo by Materials Project

description: MoCrAl2B2 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two MoCrAl2B2 sheets oriented in the (0, 1, 0) direction. Mo is bonded in a 10-coordinate geometry to four equivalent Al and six B atoms. All Mo–Al bond lengths are 2.69 Å. There are two shorter (2.32 Å) and four longer (2.34 Å) Mo–B bond lengths. Cr is bonded in a 6-coordinate geometry to six B atoms. There are two shorter (2.25 Å) and four longer (2.30 Å) Cr–B bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a distorted single-bond geometry to one B atom. The Al–B bond length is 2.18 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to four equivalent Mo and one B atom. The Al–B bond length is 2.37 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to two equivalent Mo, four equivalent Cr, one Al, and two equivalent B atoms. Both B–B bond lengths are 1.78 Å. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Mo, two equivalent Cr, one Al, and two equivalent B atoms.
DOI: 10.17188/1655807
title: Materials Data on MnAs2S4(NF6)4 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: 10.17188/1655808
title: Materials Data on Yb(HoSe2)2 by Materials Project

description: Yb(HoSe2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded to seven Se2- atoms to form distorted YbSe7 pentagonal bipyramids that share corners with eight HoSe6 octahedra, edges with five HoSe6 octahedra, edges with two equivalent YbSe7 pentagonal bipyramids, and faces with two equivalent YbSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 13–66°. There are a spread of Yb–Se bond distances ranging from 2.98–3.15 Å. There are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six Se2- atoms to form HoSe6 octahedra that share corners with three equivalent HoSe6 octahedra, corners with four equivalent YbSe7 pentagonal bipyramids, edges with six HoSe6 octahedra, and an edgeedge with one YbSe7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Ho–Se bond distances ranging from 2.84–2.93 Å. In the second Ho3+ site, Ho3+ is bonded to six Se2- atoms to form HoSe6 octahedra that share corners with three equivalent HoSe6 octahedra, corners with four equivalent YbSe7 pentagonal bipyramids, edges with four HoSe6 octahedra, and edges with four equivalent YbSe7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 51–60°. There are a spread of Ho–Se bond distances ranging from 2.84–2.89 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Yb2+ and three Ho3+ atoms to form a mixture of distorted edge and corner-sharing SeYb2Ho3 trigonal bipyramids. In the second Se2- site, Se2- is bonded to two equivalent Yb2+ and three Ho3+ atoms to form SeYb2Ho3 square pyramids that share corners with two equivalent SeYb3Ho2 square pyramids, corners with two equivalent SeYb2Ho3 trigonal bipyramids, edges with five SeYb2Ho3 square pyramids, and edges with three equivalent SeYb2Ho3 trigonal bipyramids. In the third Se2- site, Se2- is bonded to three equivalent Yb2+ and two equivalent Ho3+ atoms to form a mixture of edge and corner-sharing SeYb3Ho2 square pyramids. In the fourth Se2- site, Se2- is bonded in a rectangular see-saw-like geometry to four Ho3+ atoms.
DOI: 10.17188/1655809
title: Materials Data on UCrCo by Materials Project

description: UCrCo crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to two equivalent U, six equivalent Cr, and six equivalent Co atoms. Both U–U bond lengths are 2.76 Å. There are four shorter (2.89 Å) and two longer (3.19 Å) U–Cr bond lengths. There are four shorter (2.80 Å) and two longer (2.99 Å) U–Co bond lengths. Cr is bonded to six equivalent U, two equivalent Cr, and four equivalent Co atoms to form distorted CrU6Cr2Co4 cuboctahedra that share corners with eight equivalent CoU6Cr4Co2 cuboctahedra, corners with ten equivalent CrU6Cr2Co4 cuboctahedra, edges with six equivalent CrU6Cr2Co4 cuboctahedra, faces with six equivalent CrU6Cr2Co4 cuboctahedra, and faces with twelve equivalent CoU6Cr4Co2 cuboctahedra. Both Cr–Cr bond lengths are 2.24 Å. All Cr–Co bond lengths are 2.55 Å. Co is bonded to six equivalent U, four equivalent Cr, and two equivalent Co atoms to form CoU6Cr4Co2 cuboctahedra that share corners with eight equivalent CrU6Cr2Co4 cuboctahedra, corners with ten equivalent CoU6Cr4Co2 cuboctahedra, edges with six equivalent CoU6Cr4Co2 cuboctahedra, faces with six equivalent CoU6Cr4Co2 cuboctahedra, and faces with twelve equivalent CrU6Cr2Co4 cuboctahedra. Both Co–Co bond lengths are 2.54 Å.
DOI: 10.17188/1655810
title: Materials Data on La5Mg by Materials Project

description: MgLa5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to twelve La atoms to form MgLa12 cuboctahedra that share corners with eighteen equivalent LaLa9Mg3 cuboctahedra, edges with six equivalent MgLa12 cuboctahedra, edges with twelve equivalent LaLa10Mg2 cuboctahedra, faces with two equivalent MgLa12 cuboctahedra, and faces with eighteen LaLa9Mg3 cuboctahedra. There are six shorter (3.58 Å) and six longer (3.67 Å) Mg–La bond lengths. There are two inequivalent La sites. In the first La site, La is bonded to three equivalent Mg and nine La atoms to form LaLa9Mg3 cuboctahedra that share corners with nine equivalent MgLa12 cuboctahedra, corners with nine equivalent LaLa9Mg3 cuboctahedra, edges with eighteen LaLa9Mg3 cuboctahedra, faces with three equivalent MgLa12 cuboctahedra, and faces with seventeen LaLa9Mg3 cuboctahedra. All La–La bond lengths are 3.67 Å. In the second La site, La is bonded to two equivalent Mg and ten La atoms to form distorted LaLa10Mg2 cuboctahedra that share corners with eighteen equivalent LaLa10Mg2 cuboctahedra, edges with four equivalent MgLa12 cuboctahedra, edges with fourteen LaLa9Mg3 cuboctahedra, faces with four equivalent MgLa12 cuboctahedra, and faces with sixteen LaLa9Mg3 cuboctahedra. There are two shorter (3.50 Å) and four longer (3.76 Å) La–La bond lengths.
DOI: 10.17188/1655811
title: Materials Data on MgV4(NiO6)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: 10.17188/1655812
title: Materials Data on Sr4Sm2MgTa2O12 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: 10.17188/1655813
title: Materials Data on LiBe by Materials Project

description: LiBe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Be atoms. All Li–Be bond lengths are 2.43 Å. Be is bonded in a body-centered cubic geometry to eight equivalent Li atoms.
DOI: 10.17188/1655814
title: Materials Data on TiAl3 by Materials Project

description: Al3Ti is Magnesium-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. Ti is bonded to two equivalent Ti and ten Al atoms to form TiTi2Al10 cuboctahedra that share corners with eight equivalent AlTi4Al8 cuboctahedra, corners with ten equivalent TiTi2Al10 cuboctahedra, edges with two equivalent TiTi2Al10 cuboctahedra, edges with sixteen AlTi4Al8 cuboctahedra, faces with four equivalent TiTi2Al10 cuboctahedra, and faces with sixteen AlTi4Al8 cuboctahedra. Both Ti–Ti bond lengths are 2.84 Å. There are a spread of Ti–Al bond distances ranging from 2.83–2.85 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Ti and eight Al atoms to form AlTi4Al8 cuboctahedra that share corners with eight equivalent TiTi2Al10 cuboctahedra, corners with ten equivalent AlTi4Al8 cuboctahedra, edges with four equivalent TiTi2Al10 cuboctahedra, edges with fourteen AlTi4Al8 cuboctahedra, faces with four equivalent TiTi2Al10 cuboctahedra, and faces with sixteen AlTi4Al8 cuboctahedra. There are two shorter (2.84 Å) and six longer (2.86 Å) Al–Al bond lengths. In the second Al site, Al is bonded to four equivalent Ti and eight Al atoms to form AlTi4Al8 cuboctahedra that share corners with eighteen AlTi4Al8 cuboctahedra, edges with eight equivalent TiTi2Al10 cuboctahedra, edges with ten AlTi4Al8 cuboctahedra, faces with four equivalent TiTi2Al10 cuboctahedra, and faces with sixteen AlTi4Al8 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.81–2.85 Å. In the third Al site, Al is bonded to two equivalent Ti and ten Al atoms to form AlTi2Al10 cuboctahedra that share corners with eighteen AlTi4Al8 cuboctahedra, edges with four equivalent TiTi2Al10 cuboctahedra, edges with fourteen AlTi4Al8 cuboctahedra, faces with eight equivalent TiTi2Al10 cuboctahedra, and faces with twelve AlTi4Al8 cuboctahedra. Both Al–Al bond lengths are 2.84 Å.
DOI: 10.17188/1655815
title: Materials Data on Nd3Ti by Materials Project

description: Nd3Ti is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Nd is bonded to eight equivalent Nd and four equivalent Ti atoms to form distorted NdNd8Ti4 cuboctahedra that share corners with twelve equivalent NdNd8Ti4 cuboctahedra, edges with eight equivalent TiNd12 cuboctahedra, edges with sixteen equivalent NdNd8Ti4 cuboctahedra, faces with four equivalent TiNd12 cuboctahedra, and faces with fourteen equivalent NdNd8Ti4 cuboctahedra. All Nd–Nd bond lengths are 3.49 Å. All Nd–Ti bond lengths are 3.49 Å. Ti is bonded to twelve equivalent Nd atoms to form TiNd12 cuboctahedra that share corners with twelve equivalent TiNd12 cuboctahedra, edges with twenty-four equivalent NdNd8Ti4 cuboctahedra, faces with six equivalent TiNd12 cuboctahedra, and faces with twelve equivalent NdNd8Ti4 cuboctahedra.
DOI: 10.17188/1655816
title: Materials Data on AcNdMg2 by Materials Project

description: Mg2AcNd 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 four equivalent Ac and four equivalent Nd atoms. All Mg–Ac bond lengths are 3.47 Å. All Mg–Nd bond lengths are 3.47 Å. Ac is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. Nd is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.