cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1730491
title: Materials Data on CaMg by Materials Project

description: MgCa is Tetraauricupride structured and crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Mg atoms. There are a spread of Ca–Mg bond distances ranging from 3.43–3.45 Å. Mg is bonded in a body-centered cubic geometry to eight equivalent Ca atoms.
DOI: 10.17188/1730492
title: Materials Data on NaVO2 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: 10.17188/1730494
title: Materials Data on Hg3P by Materials Project

description: Hg3P is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Hg1+ sites. In the first Hg1+ site, Hg1+ is bonded in a body-centered cubic geometry to four equivalent Hg1+ and four equivalent P3- atoms. All Hg–Hg bond lengths are 3.11 Å. All Hg–P bond lengths are 3.11 Å. In the second Hg1+ site, Hg1+ is bonded in a body-centered cubic geometry to eight equivalent Hg1+ atoms. P3- is bonded in a body-centered cubic geometry to eight equivalent Hg1+ atoms.
DOI: 10.17188/1730496
title: Materials Data on SnP2O9 by Materials Project

description: (Sn(PO4)2)2O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four water molecules and two Sn(PO4)2 sheets oriented in the (0, 0, 1) direction. In each Sn(PO4)2 sheet, Sn is bonded to six O atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.05–2.08 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 SnO6 octahedra. The corner-sharing octahedra tilt angles range from 35–43°. There is three shorter (1.54 Å) and one longer (1.57 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 SnO6 octahedra. The corner-sharing octahedra tilt angles range from 30–44°. There are a spread of P–O bond distances ranging from 1.53–1.57 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Sn and one P atom. In the third O site, O is bonded in a bent 150 degrees geometry to one Sn and one P atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one P atom. In the fifth O site, O is bonded in a single-bond geometry to one P atom. In the sixth O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one P atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Sn and one P atom. In the eighth O site, O is bonded in a single-bond geometry to one P atom.
DOI: 10.17188/1730497
title: Materials Data on HfMg3O4 by Materials Project

description: Mg3HfO4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent HfO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.21 Å. Hf is bonded to six equivalent O atoms to form HfO6 octahedra that share corners with six equivalent HfO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hf–O bond lengths are 2.21 Å. There are two inequivalent O sites. In the first O site, O is bonded to four equivalent Mg and two equivalent Hf atoms to form a mixture of corner and edge-sharing OHf2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O site, O is bonded to six equivalent Mg atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve equivalent OHf2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1730498
title: Materials Data on ErSbRh by Materials Project

description: ErRhSb crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er is bonded in a 1-coordinate geometry to six equivalent Rh and six equivalent Sb atoms. There are a spread of Er–Rh bond distances ranging from 3.01–3.48 Å. There are a spread of Er–Sb bond distances ranging from 3.16–3.35 Å. Rh is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Sb atoms. There are a spread of Rh–Sb bond distances ranging from 2.66–2.78 Å. Sb is bonded in a 10-coordinate geometry to six equivalent Er and four equivalent Rh atoms.
DOI: 10.17188/1730499
title: Materials Data on BaGa4Se7 by Materials Project

description: BaGa4Se7 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ba–Se bond distances ranging from 3.49–4.01 Å. There are four inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.40–2.50 Å. In the second Ga3+ site, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.42–2.53 Å. In the third Ga3+ site, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.40–2.50 Å. In the fourth Ga3+ site, Ga3+ is bonded to four Se2- atoms to form corner-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.41–2.54 Å. There are seven inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted water-like geometry to two equivalent Ba2+ and two Ga3+ atoms. In the second Se2- site, Se2- is bonded in a 2-coordinate geometry to one Ba2+ and two Ga3+ atoms. In the third Se2- site, Se2- is bonded in a 2-coordinate geometry to two equivalent Ba2+ and two Ga3+ atoms. In the fourth Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Ba2+ and three Ga3+ atoms. In the fifth Se2- site, Se2- is bonded in a 2-coordinate geometry to one Ba2+ and two Ga3+ atoms. In the sixth Se2- site, Se2- is bonded in a 2-coordinate geometry to one Ba2+ and two Ga3+ atoms. In the seventh Se2- site, Se2- is bonded in a trigonal non-coplanar geometry to one Ba2+ and three Ga3+ atoms.
DOI: 10.17188/1730500
title: Materials Data on Cu5Sn2Te7 by Materials Project

description: Cu5Sn2Te7 is Enargite-like structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Cu+1.20+ sites. In the first Cu+1.20+ site, Cu+1.20+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent SnTe4 tetrahedra and corners with eight CuTe4 tetrahedra. All Cu–Te bond lengths are 2.59 Å. In the second Cu+1.20+ site, Cu+1.20+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with five equivalent SnTe4 tetrahedra and corners with seven CuTe4 tetrahedra. There are two shorter (2.58 Å) and two longer (2.59 Å) Cu–Te bond lengths. In the third Cu+1.20+ site, Cu+1.20+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent SnTe4 tetrahedra and corners with eight CuTe4 tetrahedra. There are two shorter (2.58 Å) and two longer (2.59 Å) Cu–Te bond lengths. Sn4+ is bonded to four Te2- atoms to form SnTe4 tetrahedra that share a cornercorner with one SnTe4 tetrahedra and corners with eleven CuTe4 tetrahedra. There are three shorter (2.83 Å) and one longer (2.90 Å) Sn–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cu+1.20+ and two equivalent Sn4+ atoms to form corner-sharing TeCu2Sn2 tetrahedra. In the second Te2- site, Te2- is bonded to three Cu+1.20+ and one Sn4+ atom to form corner-sharing TeCu3Sn tetrahedra. In the third Te2- site, Te2- is bonded to three Cu+1.20+ and one Sn4+ atom to form corner-sharing TeCu3Sn tetrahedra. In the fourth Te2- site, Te2- is bonded to three Cu+1.20+ and one Sn4+ atom to form corner-sharing TeCu3Sn tetrahedra.
DOI: 10.6073/pasta/e0267028fa76093ed1b2c75dd2b3ce07
title: Jornada Basin LTER: Wireless meteorological station at NPP T-EAST site: Daily summary data: 2013 - ongoing

description: Daily summary data at NPP T-EAST met station. Average/maximum/minimum air temperature; average/maximum relative humidity and wind speed and average wind direction; solar radiation; albedo. These are measured and calculated based on 1-second scan rate of all sensors located at an automated meteorological station installed at Jornada LTER NPP T-EAST site. Wind speed is measured at 75 cm, 150 cm, and 300 cm, wind direction at approximately 3m, and air temperature and relative humidity at approximate 2.5m. Solar radiation is measured at 3m. This climate station is operated by the Jornada LTER Program. This is an ONGOING dataset.
DOI: 10.17188/1730501
title: Materials Data on Ba2CuO6 by Materials Project

description: Ba2CuO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba is bonded to twelve O atoms to form distorted BaO12 cuboctahedra that share corners with twelve equivalent BaO12 cuboctahedra, faces with six equivalent BaO12 cuboctahedra, and faces with four equivalent CuO6 octahedra. There are a spread of Ba–O bond distances ranging from 2.78–3.29 Å. Cu is bonded to six O atoms to form CuO6 octahedra that share faces with eight equivalent BaO12 cuboctahedra. There is four shorter (1.85 Å) and two longer (1.87 Å) Cu–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to four equivalent Ba and one Cu atom. In the second O site, O is bonded in a distorted single-bond geometry to four equivalent Ba and one Cu atom. In the third O site, O is bonded in a distorted single-bond geometry to four equivalent Ba and one Cu atom.
DOI: 10.17188/1730503
title: Materials Data on Sm2Cr2C3 by Materials Project

description: Sm2Cr2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm3+ is bonded in a 6-coordinate geometry to six C4- atoms. There are a spread of Sm–C bond distances ranging from 2.54–3.13 Å. Cr3+ is bonded to four C4- atoms to form a mixture of edge and corner-sharing CrC4 trigonal pyramids. There are a spread of Cr–C bond distances ranging from 1.89–1.99 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and three equivalent Cr3+ atoms. In the second C4- site, C4- is bonded to four equivalent Sm3+ and two equivalent Cr3+ atoms to form edge-sharing CSm4Cr2 octahedra.
DOI: 10.17188/1730504
title: Materials Data on Rb2UO3F4 by Materials Project

description: Rb2UO3F4 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to three O and four F atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.35 Å. There are a spread of Rb–F bond distances ranging from 2.84–3.12 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to three O and four F atoms. There are a spread of Rb–O bond distances ranging from 2.91–2.95 Å. There are a spread of Rb–F bond distances ranging from 2.74–3.37 Å. U is bonded in a 7-coordinate geometry to three O and four F atoms. There are two shorter (1.91 Å) and one longer (2.36 Å) U–O bond lengths. There are a spread of U–F bond distances ranging from 2.19–2.68 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one U atom. In the second O site, O is bonded in a distorted single-bond geometry to two Rb and one U atom. In the third O site, O is bonded in a 2-coordinate geometry to one Rb, one U, and one F atom. The O–F bond length is 1.49 Å. There are four inequivalent F sites. In the first F site, F is bonded in a distorted single-bond geometry to one Rb and two equivalent U atoms. In the second F site, F is bonded in a 1-coordinate geometry to two Rb and one O atom. In the third F site, F is bonded in a 4-coordinate geometry to three Rb and one U atom. In the fourth F site, F is bonded in a 1-coordinate geometry to two Rb and one U atom.
DOI: 10.17188/1730505
title: Materials Data on Sr2YCoCu2O7 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: 10.17188/1730506
title: Materials Data on Li32Mn3Cr13O48 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: 10.17188/1730507
title: Materials Data on SrMn2Si2(H2O5)2 by Materials Project

description: SrMn2Si2(H2O5)2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.60–2.87 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 SiO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.95–2.17 Å. In the second Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent SiO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.95–2.21 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four MnO6 octahedra and a cornercorner with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 47–59°. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, two Mn3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sr2+ and two equivalent H1+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sr2+ and two equivalent Si4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Mn3+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Mn3+, and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Sr2+, one Mn3+, and one Si4+ atom.
DOI: 10.17188/1730508
title: Materials Data on Al4Si by Materials Project

description: Al4Si crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are six inequivalent Al sites. In the first Al site, Al is bonded to nine Al and three equivalent Si atoms to form distorted AlAl9Si3 cuboctahedra that share corners with six equivalent SiAl6 cuboctahedra, corners with twelve AlAl9Si3 cuboctahedra, edges with six equivalent SiAl6 cuboctahedra, edges with eighteen AlAl9Si3 cuboctahedra, and faces with twelve AlAl9Si3 cuboctahedra. There are three shorter (2.84 Å) and six longer (2.85 Å) Al–Al bond lengths. All Al–Si bond lengths are 2.73 Å. In the second Al site, Al is bonded to twelve Al atoms to form AlAl12 cuboctahedra that share corners with three equivalent SiAl6 cuboctahedra, corners with nine AlAl9Si3 cuboctahedra, edges with three equivalent SiAl6 cuboctahedra, edges with twenty-one AlAl9Si3 cuboctahedra, and faces with eighteen AlAl9Si3 cuboctahedra. There are six shorter (2.85 Å) and three longer (2.88 Å) Al–Al bond lengths. In the third Al site, Al is bonded to twelve Al atoms to form AlAl12 cuboctahedra that share corners with three equivalent SiAl6 cuboctahedra, corners with nine AlAl9Si3 cuboctahedra, edges with three equivalent SiAl6 cuboctahedra, edges with twenty-one AlAl9Si3 cuboctahedra, and faces with eighteen AlAl9Si3 cuboctahedra. There are three shorter (2.84 Å) and six longer (2.85 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded to twelve Al atoms to form AlAl12 cuboctahedra that share corners with three equivalent SiAl6 cuboctahedra, corners with nine AlAl9Si3 cuboctahedra, edges with three equivalent SiAl6 cuboctahedra, edges with twenty-one AlAl9Si3 cuboctahedra, and faces with eighteen AlAl9Si3 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.84–2.88 Å. In the fifth Al site, Al is bonded to twelve Al atoms to form AlAl12 cuboctahedra that share corners with three equivalent SiAl6 cuboctahedra, corners with nine AlAl9Si3 cuboctahedra, edges with three equivalent SiAl6 cuboctahedra, edges with twenty-one AlAl9Si3 cuboctahedra, and faces with eighteen AlAl9Si3 cuboctahedra. There are three shorter (2.84 Å) and six longer (2.85 Å) Al–Al bond lengths. In the sixth Al site, Al is bonded to twelve Al atoms to form AlAl12 cuboctahedra that share corners with three equivalent SiAl6 cuboctahedra, corners with nine AlAl9Si3 cuboctahedra, edges with three equivalent SiAl6 cuboctahedra, edges with twenty-one AlAl9Si3 cuboctahedra, and faces with eighteen AlAl9Si3 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.84–2.88 Å. Si is bonded to six equivalent Al atoms to form distorted SiAl6 cuboctahedra that share corners with eighteen AlAl9Si3 cuboctahedra, edges with six equivalent SiAl6 cuboctahedra, and edges with eighteen AlAl9Si3 cuboctahedra.
DOI: 10.17188/1730509
title: Materials Data on Li2VF6 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: 10.17188/1730510
title: Materials Data on LiFe(PO3)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: 10.17188/1730511
title: Materials Data on Rh2O3 by Materials Project

description: Rh2O3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Rh3+ sites. In the first Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 12–61°. There are a spread of Rh–O bond distances ranging from 1.98–2.24 Å. In the second Rh3+ site, Rh3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RhO6 octahedra. The corner-sharing octahedra tilt angles range from 12–61°. There are a spread of Rh–O bond distances ranging from 1.99–2.20 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Rh3+ atoms to form distorted ORh4 tetrahedra that share corners with seven equivalent ORh5 square pyramids, corners with two equivalent ORh4 tetrahedra, an edgeedge with one ORh5 square pyramid, and edges with two equivalent ORh4 tetrahedra. In the second O2- site, O2- is bonded to five Rh3+ atoms to form distorted ORh5 square pyramids that share corners with seven equivalent ORh4 tetrahedra, edges with four equivalent ORh5 square pyramids, and an edgeedge with one ORh4 tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Rh3+ atoms.
DOI: 10.17188/1730512
title: Materials Data on Na2TbO3 by Materials Project

description: Na2TbO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four TbO6 octahedra, edges with four TbO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are a spread of Na–O bond distances ranging from 2.39–2.61 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four TbO6 octahedra, edges with four TbO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are a spread of Na–O bond distances ranging from 2.43–2.66 Å. In the third Na1+ site, Na1+ is bonded to six O2- atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six TbO6 octahedra. The corner-sharing octahedral tilt angles are 10°. There are four shorter (2.50 Å) and two longer (2.53 Å) Na–O bond lengths. There are two inequivalent Tb4+ sites. In the first Tb4+ site, Tb4+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent TbO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are two shorter (2.28 Å) and four longer (2.29 Å) Tb–O bond lengths. In the second Tb4+ site, Tb4+ is bonded to six O2- atoms to form TbO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent TbO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 8–10°. There are two shorter (2.28 Å) and four longer (2.29 Å) Tb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Na1+ and two Tb4+ atoms to form a mixture of corner and edge-sharing ONa4Tb2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O2- site, O2- is bonded to four Na1+ and two Tb4+ atoms to form a mixture of corner and edge-sharing ONa4Tb2 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. In the third O2- site, O2- is bonded to four Na1+ and two Tb4+ atoms to form a mixture of corner and edge-sharing ONa4Tb2 octahedra. The corner-sharing octahedra tilt angles range from 0–10°.
DOI: 10.17188/1730515
title: Materials Data on HoRh2Pb by Materials Project

description: HoRh2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ho is bonded in a distorted body-centered cubic geometry to eight equivalent Rh and six equivalent Pb atoms. All Ho–Rh bond lengths are 2.92 Å. All Ho–Pb bond lengths are 3.37 Å. Rh is bonded in a distorted body-centered cubic geometry to four equivalent Ho and four equivalent Pb atoms. All Rh–Pb bond lengths are 2.92 Å. Pb is bonded in a 8-coordinate geometry to six equivalent Ho and eight equivalent Rh atoms.