cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1268506
title: Materials Data on Ba3Nb2CoO9 (SG:164) 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: 10.17188/1268507
title: Materials Data on U6Mn by Materials Project

description: U6Mn crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 4-coordinate geometry to two U and two equivalent Mn atoms. There are one shorter (2.62 Å) and one longer (2.72 Å) U–U bond lengths. Both U–Mn bond lengths are 2.77 Å. In the second U site, U is bonded in a distorted T-shaped geometry to three U atoms. The U–U bond length is 2.68 Å. Mn is bonded in a 10-coordinate geometry to eight equivalent U and two equivalent Mn atoms. Both Mn–Mn bond lengths are 2.65 Å.
DOI: 10.17188/1268508
title: Materials Data on LiRh by Materials Project

description: LiRh crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Li is bonded to six equivalent Rh atoms to form a mixture of distorted corner, edge, and face-sharing LiRh6 cuboctahedra. All Li–Rh bond lengths are 2.67 Å. Rh is bonded to six equivalent Li atoms to form a mixture of distorted corner, edge, and face-sharing RhLi6 cuboctahedra.
DOI: 10.17188/1268509
title: Materials Data on Mn2BeO4 by Materials Project

description: BeMn2O4 is Ilmenite-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Be2+ is bonded to four O2- atoms to form BeO4 tetrahedra that share corners with six MnO6 octahedra and edges with three MnO6 octahedra. The corner-sharing octahedra tilt angles range from 58–63°. There are a spread of Be–O bond distances ranging from 1.60–1.71 Å. There are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent MnO6 octahedra, corners with two equivalent BeO4 tetrahedra, edges with four MnO6 octahedra, and edges with two equivalent BeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–59°. There are a spread of Mn–O bond distances ranging from 1.97–2.04 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with eight MnO6 octahedra, corners with four equivalent BeO4 tetrahedra, edges with two equivalent MnO6 octahedra, and an edgeedge with one BeO4 tetrahedra. The corner-sharing octahedra tilt angles range from 53–59°. There are a spread of Mn–O bond distances ranging from 2.04–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to one Be2+ and three Mn3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Be2+ and three Mn3+ atoms. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Be2+ and three Mn3+ atoms.
DOI: 10.17188/1268510
title: Materials Data on LiCu2Sn by Materials Project

description: Cu2LiSn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to six equivalent Cu and six equivalent Sn atoms to form a mixture of distorted corner and face-sharing LiCu6Sn6 cuboctahedra. All Li–Cu bond lengths are 2.57 Å. All Li–Sn bond lengths are 3.13 Å. Cu is bonded in a 3-coordinate geometry to three equivalent Li and four equivalent Sn atoms. There are one shorter (2.59 Å) and three longer (2.77 Å) Cu–Sn bond lengths. Sn is bonded in a 2-coordinate geometry to six equivalent Li and eight equivalent Cu atoms.
DOI: 10.17188/1268511
title: Materials Data on YbLuPt2 by Materials Project

description: LuYbPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Lu–Pt bond lengths are 2.96 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Yb–Pt bond lengths are 2.96 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Yb atoms.
DOI: 10.17188/1268512
title: Materials Data on AgCO3 by Materials Project

description: AgCO3 is Calcite structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ag2+ is bonded to six equivalent O2- atoms to form corner-sharing AgO6 octahedra. The corner-sharing octahedral tilt angles are 65°. All Ag–O bond lengths are 2.35 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.29 Å. O2- is bonded in a distorted trigonal planar geometry to two equivalent Ag2+ and one C4+ atom.
DOI: 10.17188/1268513
title: Materials Data on CeAl3 by Materials Project

description: CeAl3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ce is bonded to twelve equivalent Al atoms to form a mixture of distorted corner and face-sharing CeAl12 cuboctahedra. There are six shorter (3.12 Å) and six longer (3.22 Å) Ce–Al bond lengths. Al is bonded in a 10-coordinate geometry to four equivalent Ce and six equivalent Al atoms. There are two shorter (2.79 Å) and four longer (2.82 Å) Al–Al bond lengths.
DOI: 10.17188/1268514
title: Materials Data on CsHgCl3 by Materials Project

description: CsHgCl3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, and faces with eight equivalent HgCl6 octahedra. All Cs–Cl bond lengths are 3.82 Å. Hg2+ is bonded to six equivalent Cl1- atoms to form HgCl6 octahedra that share corners with six equivalent HgCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Cl bond lengths are 2.70 Å. Cl1- is bonded to four equivalent Cs1+ and two equivalent Hg2+ atoms to form a mixture of distorted corner, edge, and face-sharing ClCs4Hg2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
DOI: 10.17188/1268515
title: Materials Data on Li5V4O8 by Materials Project

description: Li5V4O8 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.01–2.44 Å. In the second Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.02–2.30 Å. In the third Li1+ site, Li1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Li–O bond distances ranging from 2.02–2.43 Å. In the fourth Li1+ site, Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with twelve VO6 octahedra. The corner-sharing octahedra tilt angles range from 55–59°. There is one shorter (1.89 Å) and three longer (1.94 Å) Li–O bond length. There are three inequivalent V+2.75+ sites. In the first V+2.75+ site, V+2.75+ is bonded to six O2- atoms to form VO6 octahedra that share corners with three equivalent LiO4 tetrahedra and edges with six VO6 octahedra. There are a spread of V–O bond distances ranging from 2.06–2.13 Å. In the second V+2.75+ site, V+2.75+ is bonded to six O2- atoms to form VO6 octahedra that share corners with three equivalent LiO4 tetrahedra and edges with six VO6 octahedra. There are a spread of V–O bond distances ranging from 2.06–2.13 Å. In the third V+2.75+ site, V+2.75+ is bonded to six O2- atoms to form VO6 octahedra that share corners with three equivalent LiO4 tetrahedra and edges with six VO6 octahedra. There are five shorter (2.15 Å) and one longer (2.16 Å) V–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+ and three V+2.75+ atoms to form edge-sharing OLi3V3 octahedra. In the second O2- site, O2- is bonded to three Li1+ and three V+2.75+ atoms to form edge-sharing OLi3V3 octahedra. In the third O2- site, O2- is bonded to three Li1+ and three V+2.75+ atoms to form edge-sharing OLi3V3 octahedra. In the fourth O2- site, O2- is bonded in a 7-coordinate geometry to four Li1+ and three V+2.75+ atoms. In the fifth O2- site, O2- is bonded in a 7-coordinate geometry to four Li1+ and three V+2.75+ atoms. In the sixth O2- site, O2- is bonded in a 7-coordinate geometry to four Li1+ and three V+2.75+ atoms.
DOI: 10.17188/1268516
title: Materials Data on Ge by Materials Project

description: Ge is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Ge is bonded in a body-centered cubic geometry to eight equivalent Ge atoms. All Ge–Ge bond lengths are 2.94 Å.
DOI: 10.17188/1268517
title: Materials Data on MgB2 by Materials Project

description: MgB2 is hexagonal omega structure structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent B atoms to form a mixture of edge and face-sharing MgB12 cuboctahedra. All Mg–B bond lengths are 2.50 Å. B is bonded in a 9-coordinate geometry to six equivalent Mg and three equivalent B atoms. All B–B bond lengths are 1.77 Å.
DOI: 10.17188/1268518
title: Materials Data on Co3SbO8 (SG:166) 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: 10.17188/1268519
title: Materials Data on SmHo3 by Materials Project

description: Ho3Sm is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded to eight Ho and four equivalent Sm atoms to form HoSm4Ho8 cuboctahedra that share corners with twelve equivalent HoSm4Ho8 cuboctahedra, edges with eight equivalent SmHo12 cuboctahedra, edges with sixteen HoSm4Ho8 cuboctahedra, faces with four equivalent SmHo12 cuboctahedra, and faces with fourteen HoSm4Ho8 cuboctahedra. All Ho–Ho bond lengths are 3.55 Å. All Ho–Sm bond lengths are 3.55 Å. In the second Ho site, Ho is bonded to eight equivalent Ho and four equivalent Sm atoms to form HoSm4Ho8 cuboctahedra that share corners with four equivalent HoSm4Ho8 cuboctahedra, corners with eight equivalent SmHo12 cuboctahedra, edges with twenty-four HoSm4Ho8 cuboctahedra, faces with six equivalent SmHo12 cuboctahedra, and faces with twelve HoSm4Ho8 cuboctahedra. All Ho–Sm bond lengths are 3.55 Å. Sm is bonded to twelve Ho atoms to form SmHo12 cuboctahedra that share corners with four equivalent SmHo12 cuboctahedra, corners with eight equivalent HoSm4Ho8 cuboctahedra, edges with eight equivalent SmHo12 cuboctahedra, edges with sixteen equivalent HoSm4Ho8 cuboctahedra, faces with four equivalent SmHo12 cuboctahedra, and faces with fourteen HoSm4Ho8 cuboctahedra.
DOI: 10.17188/1268520
title: Materials Data on CaPmPd2 by Materials Project

description: CaPmPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Ca–Pd bond lengths are 3.09 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Pm–Pd bond lengths are 3.09 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Pm atoms.
DOI: 10.17188/1268521
title: Materials Data on YbCuSi by Materials Project

description: YbCuSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent Si4- atoms to form a mixture of edge, face, and corner-sharing YbSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Yb–Si bond lengths are 3.10 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Cu–Si bond lengths are 2.36 Å. Si4- is bonded in a 9-coordinate geometry to six equivalent Yb3+ and three equivalent Cu1+ atoms.
DOI: 10.17188/1268522
title: Materials Data on PrNdO2 by Materials Project

description: NdPrO2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Nd is bonded to six O atoms to form NdO6 octahedra that share corners with two equivalent PrO6 octahedra, corners with four equivalent NdO6 octahedra, edges with four equivalent NdO6 octahedra, and edges with eight equivalent PrO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.52 Å) and four longer (2.54 Å) Nd–O bond lengths. Pr is bonded to six O atoms to form PrO6 octahedra that share corners with two equivalent NdO6 octahedra, corners with four equivalent PrO6 octahedra, edges with four equivalent PrO6 octahedra, and edges with eight equivalent NdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.54 Å) and two longer (2.56 Å) Pr–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded to three equivalent Nd and three equivalent Pr atoms to form a mixture of edge and corner-sharing OPr3Nd3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O site, O is bonded to three equivalent Nd and three equivalent Pr atoms to form a mixture of edge and corner-sharing OPr3Nd3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are one shorter (2.52 Å) and two longer (2.54 Å) O–Nd bond lengths. There are two shorter (2.54 Å) and one longer (2.56 Å) O–Pr bond lengths. In the third O site, O is bonded to three equivalent Nd and three equivalent Pr atoms to form a mixture of edge and corner-sharing OPr3Nd3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.
DOI: 10.17188/1268523
title: Materials Data on GeI2 by Materials Project

description: GeI2 is Molybdenite-like structured and crystallizes in the hexagonal P-6m2 space group. The structure is two-dimensional and consists of one GeI2 sheet oriented in the (0, 0, 1) direction. Ge2+ is bonded to six equivalent I1- atoms to form distorted edge-sharing GeI6 pentagonal pyramids. All Ge–I bond lengths are 3.07 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Ge2+ atoms.
DOI: 10.17188/1268524
title: Materials Data on EuIO by Materials Project

description: EuIO is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one EuIO sheet oriented in the (0, 0, 1) direction. Eu3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Eu–O bond lengths are 2.34 Å. All Eu–I bond lengths are 3.46 Å. O2- is bonded to four equivalent Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. I1- is bonded in a 4-coordinate geometry to four equivalent Eu3+ atoms.
DOI: 10.17188/1268525
title: Materials Data on Hg4Pt by Materials Project

description: PtHg4 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Pt is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pt–Hg bond lengths are 2.77 Å. Hg is bonded in a distorted linear geometry to two equivalent Pt atoms.
DOI: 10.17188/1268526
title: Materials Data on Cr by Materials Project

description: Cr is Tungsten structured and crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent Cr atoms. All Cr–Cr bond lengths are 2.47 Å.
DOI: 10.17188/1268527
title: Materials Data on PrCdHg2 by Materials Project

description: PrHg2Cd is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pr–Hg bond lengths are 3.20 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Pr and four equivalent Cd atoms. All Hg–Cd bond lengths are 3.20 Å. Cd is bonded in a distorted body-centered cubic geometry to eight equivalent Hg atoms.
DOI: 10.17188/1268528
title: Materials Data on CaAgHg2 by Materials Project

description: CaAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Ca–Ag bond lengths are 3.61 Å. All Ca–Hg bond lengths are 3.13 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Ca and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.13 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Ag atoms.
DOI: 10.17188/1268529
title: Materials Data on LaAs by Materials Project

description: LaAs is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. La3+ is bonded to six equivalent As3- atoms to form a mixture of corner and edge-sharing LaAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All La–As bond lengths are 3.10 Å. As3- is bonded to six equivalent La3+ atoms to form a mixture of corner and edge-sharing AsLa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1268530
title: Materials Data on TbAlAg2 by Materials Project

description: TbAg2Al 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 Ag atoms. All Tb–Ag bond lengths are 2.97 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Tb and four equivalent Al atoms. All Ag–Al bond lengths are 2.97 Å. Al is bonded in a distorted body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1268531
title: Materials Data on UAl4 by Materials Project

description: UAl4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U is bonded in a 9-coordinate geometry to thirteen Al atoms. There are a spread of U–Al bond distances ranging from 3.01–3.13 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent U and ten Al atoms. There are a spread of Al–Al bond distances ranging from 2.86–3.07 Å. In the second Al site, Al is bonded in a 10-coordinate geometry to three equivalent U and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.61–2.77 Å. In the third Al site, Al is bonded to four equivalent U and eight Al atoms to form a mixture of distorted face, edge, and corner-sharing AlU4Al8 cuboctahedra. Both Al–Al bond lengths are 3.12 Å.
DOI: 10.17188/1268532
title: Materials Data on FeO (SG:186) 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: 10.17188/1268533
title: Materials Data on DyAl2 by Materials Project

description: DyAl2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy and twelve equivalent Al atoms. All Dy–Dy bond lengths are 3.41 Å. All Dy–Al bond lengths are 3.26 Å. Al is bonded to six equivalent Dy and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlDy6Al6 cuboctahedra. All Al–Al bond lengths are 2.78 Å.
DOI: 10.17188/1268534
title: Materials Data on TiRu by Materials Project

description: RuTi is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Ti–Ru bond lengths are 2.67 Å. Ru is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.
DOI: 10.15468/353mqv
title: First data on the bionomics of Leptochilus (Euleptochilus) limbiferus (Morawitz 1867) (Hymenoptera: Vespidae: Eumeninae), with taxonomic notes and new records

description: This dataset contains the digitized treatments in Plazi based on the original journal article Fateryga, Alexander V., Popovich, Anton V., Podunay, Yulia A., Fateryga, Valentina V. (2020): First data on the bionomics of Leptochilus (Euleptochilus) limbiferus (Morawitz 1867) (Hymenoptera: Vespidae: Eumeninae), with taxonomic notes and new records. Zootaxa 4851 (2): 289-304, DOI: https://doi.org/10.11646/zootaxa.4851.2.4
DOI: 10.17188/1268535
title: Materials Data on BeAg3 by Materials Project

description: BeAg3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Be is bonded to twelve equivalent Ag atoms to form BeAg12 cuboctahedra that share corners with twelve equivalent BeAg12 cuboctahedra, edges with twenty-four equivalent AgBe4Ag8 cuboctahedra, faces with six equivalent BeAg12 cuboctahedra, and faces with twelve equivalent AgBe4Ag8 cuboctahedra. All Be–Ag bond lengths are 2.82 Å. Ag is bonded to four equivalent Be and eight equivalent Ag atoms to form AgBe4Ag8 cuboctahedra that share corners with twelve equivalent AgBe4Ag8 cuboctahedra, edges with eight equivalent BeAg12 cuboctahedra, edges with sixteen equivalent AgBe4Ag8 cuboctahedra, faces with four equivalent BeAg12 cuboctahedra, and faces with fourteen equivalent AgBe4Ag8 cuboctahedra. All Ag–Ag bond lengths are 2.82 Å.
DOI: 10.17188/1268536
title: Materials Data on YErIn2 by Materials Project

description: ErYIn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Er–In bond lengths are 3.25 Å. Y is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Y–In bond lengths are 3.25 Å. In is bonded in a body-centered cubic geometry to four equivalent Er and four equivalent Y atoms.
DOI: 10.17188/1268537
title: Materials Data on TmScRu2 by Materials Project

description: TmScRu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tm is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Tm–Ru bond lengths are 2.85 Å. Sc is bonded in a body-centered cubic geometry to eight equivalent Ru atoms. All Sc–Ru bond lengths are 2.85 Å. Ru is bonded in a body-centered cubic geometry to four equivalent Tm and four equivalent Sc atoms.
DOI: 10.17188/1268538
title: Materials Data on TmMg2Sc by Materials Project

description: Mg2TmSc 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 Tm and four equivalent Sc atoms. All Mg–Tm bond lengths are 3.18 Å. All Mg–Sc bond lengths are 3.18 Å. Tm is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms. Sc is bonded in a distorted body-centered cubic geometry to eight equivalent Mg atoms.