cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1309662
title: Materials Data on CaLaHg2 by Materials Project

description: CaLaHg2 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 Hg atoms. All Ca–Hg bond lengths are 3.34 Å. La is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All La–Hg bond lengths are 3.34 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent La atoms.
DOI: 10.17188/1309663
title: Materials Data on PaB3 by Materials Project

description: PaB3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa3+ is bonded in a 12-coordinate geometry to twelve equivalent B1- atoms. There are six shorter (2.70 Å) and six longer (2.77 Å) Pa–B bond lengths. B1- is bonded in a 10-coordinate geometry to four equivalent Pa3+ and six equivalent B1- atoms. There is two shorter (1.84 Å) and four longer (2.02 Å) B–B bond length.
DOI: 10.17188/1309664
title: Materials Data on Pa3Al by Materials Project

description: Pa3Al is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pa sites. In the first Pa site, Pa is bonded to eight Pa and four equivalent Al atoms to form PaPa8Al4 cuboctahedra that share corners with twelve equivalent PaPa8Al4 cuboctahedra, edges with eight equivalent AlPa12 cuboctahedra, edges with sixteen PaPa8Al4 cuboctahedra, faces with four equivalent AlPa12 cuboctahedra, and faces with fourteen PaPa8Al4 cuboctahedra. All Pa–Pa bond lengths are 3.19 Å. All Pa–Al bond lengths are 3.19 Å. In the second Pa site, Pa is bonded to eight equivalent Pa and four equivalent Al atoms to form PaPa8Al4 cuboctahedra that share corners with four equivalent PaPa8Al4 cuboctahedra, corners with eight equivalent AlPa12 cuboctahedra, edges with twenty-four PaPa8Al4 cuboctahedra, faces with six equivalent AlPa12 cuboctahedra, and faces with twelve PaPa8Al4 cuboctahedra. All Pa–Al bond lengths are 3.19 Å. Al is bonded to twelve Pa atoms to form AlPa12 cuboctahedra that share corners with four equivalent AlPa12 cuboctahedra, corners with eight equivalent PaPa8Al4 cuboctahedra, edges with eight equivalent AlPa12 cuboctahedra, edges with sixteen equivalent PaPa8Al4 cuboctahedra, faces with four equivalent AlPa12 cuboctahedra, and faces with fourteen PaPa8Al4 cuboctahedra.
DOI: 10.17188/1309665
title: Materials Data on Ac2NiIr by Materials Project

description: Ac2IrNi is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to four equivalent Ir and four equivalent Ni atoms. All Ac–Ir bond lengths are 3.20 Å. All Ac–Ni bond lengths are 3.20 Å. Ir is bonded in a body-centered cubic geometry to eight equivalent Ac atoms. Ni is bonded in a body-centered cubic geometry to eight equivalent Ac atoms.
DOI: 10.17188/1309666
title: Materials Data on KPAuSe3 by Materials Project

description: KAuPSe3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 11-coordinate geometry to two equivalent Au1- and nine Se+1.67- atoms. Both K–Au bond lengths are 3.91 Å. There are a spread of K–Se bond distances ranging from 3.46–3.72 Å. Au1- is bonded in a 2-coordinate geometry to two equivalent K1+ and two equivalent Se+1.67- atoms. Both Au–Se bond lengths are 2.44 Å. P5+ is bonded in a trigonal non-coplanar geometry to three Se+1.67- atoms. There are one shorter (2.16 Å) and two longer (2.27 Å) P–Se bond lengths. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 1-coordinate geometry to three equivalent K1+ and one P5+ atom. In the second Se+1.67- site, Se+1.67- is bonded in a 1-coordinate geometry to three equivalent K1+, one Au1-, and one P5+ atom.
DOI: 10.17188/1309667
title: Materials Data on PaI3 by Materials Project

description: PaI3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two PaI3 ribbons oriented in the (0, 0, 1) direction. Pa3+ is bonded to six equivalent I1- atoms to form distorted face-sharing PaI6 pentagonal pyramids. All Pa–I bond lengths are 3.14 Å. I1- is bonded in a distorted L-shaped geometry to two equivalent Pa3+ atoms.
DOI: 10.17188/1309668
title: Materials Data on PaNi3 by Materials Project

description: PaNi3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to twelve Ni atoms to form PaNi12 cuboctahedra that share corners with six equivalent PaNi12 cuboctahedra, corners with twelve NiPa4Ni8 cuboctahedra, edges with eighteen NiPa4Ni8 cuboctahedra, faces with eight equivalent PaNi12 cuboctahedra, and faces with twelve NiPa4Ni8 cuboctahedra. There are six shorter (2.64 Å) and six longer (2.84 Å) Pa–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Pa and eight Ni atoms to form distorted NiPa4Ni8 cuboctahedra that share corners with four equivalent PaNi12 cuboctahedra, corners with fourteen NiPa4Ni8 cuboctahedra, edges with six equivalent PaNi12 cuboctahedra, edges with twelve NiPa4Ni8 cuboctahedra, faces with four equivalent PaNi12 cuboctahedra, and faces with sixteen NiPa4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.52–2.77 Å. In the second Ni site, Ni is bonded to four equivalent Pa and eight Ni atoms to form distorted NiPa4Ni8 cuboctahedra that share corners with four equivalent PaNi12 cuboctahedra, corners with fourteen NiPa4Ni8 cuboctahedra, edges with six equivalent PaNi12 cuboctahedra, edges with twelve NiPa4Ni8 cuboctahedra, faces with four equivalent PaNi12 cuboctahedra, and faces with sixteen NiPa4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.52–2.77 Å. In the third Ni site, Ni is bonded to four equivalent Pa and eight Ni atoms to form distorted NiPa4Ni8 cuboctahedra that share corners with four equivalent PaNi12 cuboctahedra, corners with fourteen NiPa4Ni8 cuboctahedra, edges with six equivalent PaNi12 cuboctahedra, edges with twelve NiPa4Ni8 cuboctahedra, faces with four equivalent PaNi12 cuboctahedra, and faces with sixteen NiPa4Ni8 cuboctahedra. Both Ni–Ni bond lengths are 2.77 Å.
DOI: 10.17188/1309669
title: Materials Data on PaP3 by Materials Project

description: PaP3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa3+ is bonded to twelve equivalent P1- atoms to form a mixture of distorted face and corner-sharing PaP12 cuboctahedra. There are six shorter (2.79 Å) and six longer (3.06 Å) Pa–P bond lengths. P1- is bonded in a distorted hexagonal planar geometry to four equivalent Pa3+ and two equivalent P1- atoms. Both P–P bond lengths are 2.39 Å.
DOI: 10.17188/1309670
title: Materials Data on PaPd3 by Materials Project

description: PaPd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to twelve Pd atoms to form PaPd12 cuboctahedra that share corners with six equivalent PaPd12 cuboctahedra, corners with twelve equivalent PdPa4Pd8 cuboctahedra, edges with eighteen PdPa4Pd8 cuboctahedra, faces with eight equivalent PaPd12 cuboctahedra, and faces with twelve PdPa4Pd8 cuboctahedra. There are six shorter (2.87 Å) and six longer (3.04 Å) Pa–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Pa and eight Pd atoms to form distorted PdPa4Pd8 cuboctahedra that share corners with four equivalent PaPd12 cuboctahedra, corners with fourteen PdPa4Pd8 cuboctahedra, edges with six equivalent PaPd12 cuboctahedra, edges with twelve PdPa4Pd8 cuboctahedra, faces with four equivalent PaPd12 cuboctahedra, and faces with sixteen PdPa4Pd8 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.83–3.02 Å. In the second Pd site, Pd is bonded to four equivalent Pa and eight equivalent Pd atoms to form distorted PdPa4Pd8 cuboctahedra that share corners with four equivalent PaPd12 cuboctahedra, corners with fourteen PdPa4Pd8 cuboctahedra, edges with six equivalent PaPd12 cuboctahedra, edges with twelve equivalent PdPa4Pd8 cuboctahedra, faces with four equivalent PaPd12 cuboctahedra, and faces with sixteen PdPa4Pd8 cuboctahedra.
DOI: 10.17188/1309671
title: Materials Data on PaO2 by Materials Project

description: PaO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pa4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PaO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are two shorter (2.27 Å) and four longer (2.30 Å) Pa–O bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Pa4+ atoms.
DOI: 10.17188/1309672
title: Materials Data on PaS3 by Materials Project

description: PaS3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa5+ is bonded to twelve equivalent S+1.67- atoms to form a mixture of face and corner-sharing PaS12 cuboctahedra. There are six shorter (2.88 Å) and six longer (2.95 Å) Pa–S bond lengths. S+1.67- is bonded in a 4-coordinate geometry to four equivalent Pa5+ atoms.
DOI: 10.17188/1309673
title: Materials Data on PaPt3 by Materials Project

description: PaPt3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to twelve Pt atoms to form PaPt12 cuboctahedra that share corners with six equivalent PaPt12 cuboctahedra, corners with twelve equivalent PtPa4Pt8 cuboctahedra, edges with eighteen PtPa4Pt8 cuboctahedra, faces with eight equivalent PaPt12 cuboctahedra, and faces with twelve PtPa4Pt8 cuboctahedra. There are six shorter (2.89 Å) and six longer (3.05 Å) Pa–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to four equivalent Pa and eight Pt atoms to form distorted PtPa4Pt8 cuboctahedra that share corners with four equivalent PaPt12 cuboctahedra, corners with fourteen PtPa4Pt8 cuboctahedra, edges with six equivalent PaPt12 cuboctahedra, edges with twelve PtPa4Pt8 cuboctahedra, faces with four equivalent PaPt12 cuboctahedra, and faces with sixteen PtPa4Pt8 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.86–3.03 Å. In the second Pt site, Pt is bonded to four equivalent Pa and eight equivalent Pt atoms to form distorted PtPa4Pt8 cuboctahedra that share corners with four equivalent PaPt12 cuboctahedra, corners with fourteen PtPa4Pt8 cuboctahedra, edges with six equivalent PaPt12 cuboctahedra, edges with twelve equivalent PtPa4Pt8 cuboctahedra, faces with four equivalent PaPt12 cuboctahedra, and faces with sixteen PtPa4Pt8 cuboctahedra.
DOI: 10.17188/1309674
title: Materials Data on PuCdAu2 by Materials Project

description: PuAu2Cd is Heusler structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Pu is bonded in a body-centered cubic geometry to eight equivalent Au atoms. There are four shorter (3.05 Å) and four longer (3.06 Å) Pu–Au bond lengths. Au is bonded in a body-centered cubic geometry to four equivalent Pu and four equivalent Cd atoms. There are two shorter (3.05 Å) and two longer (3.06 Å) Au–Cd bond lengths. Cd is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1309675
title: Materials Data on AcInAu2 by Materials Project

description: AcAu2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Ac–Au bond lengths are 3.23 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent In atoms. All Au–In bond lengths are 3.23 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1309676
title: Materials Data on Pa3Si by Materials Project

description: Pa3Si is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Si atoms to form distorted PaPa8Si4 cuboctahedra that share corners with twelve equivalent PaPa8Si4 cuboctahedra, edges with eight equivalent SiPa12 cuboctahedra, edges with sixteen equivalent PaPa8Si4 cuboctahedra, faces with four equivalent SiPa12 cuboctahedra, and faces with fourteen equivalent PaPa8Si4 cuboctahedra. All Pa–Pa bond lengths are 3.14 Å. All Pa–Si bond lengths are 3.14 Å. Si is bonded to twelve equivalent Pa atoms to form SiPa12 cuboctahedra that share corners with twelve equivalent SiPa12 cuboctahedra, edges with twenty-four equivalent PaPa8Si4 cuboctahedra, faces with six equivalent SiPa12 cuboctahedra, and faces with twelve equivalent PaPa8Si4 cuboctahedra.
DOI: 10.17188/1309677
title: Materials Data on Pa3Sb by Materials Project

description: Pa3Sb is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Sb atoms to form distorted PaPa8Sb4 cuboctahedra that share corners with twelve equivalent PaPa8Sb4 cuboctahedra, edges with eight equivalent SbPa12 cuboctahedra, edges with sixteen equivalent PaPa8Sb4 cuboctahedra, faces with four equivalent SbPa12 cuboctahedra, and faces with fourteen equivalent PaPa8Sb4 cuboctahedra. All Pa–Pa bond lengths are 3.25 Å. All Pa–Sb bond lengths are 3.25 Å. Sb is bonded to twelve equivalent Pa atoms to form SbPa12 cuboctahedra that share corners with twelve equivalent SbPa12 cuboctahedra, edges with twenty-four equivalent PaPa8Sb4 cuboctahedra, faces with six equivalent SbPa12 cuboctahedra, and faces with twelve equivalent PaPa8Sb4 cuboctahedra.
DOI: 10.17188/1309678
title: Materials Data on Pa3Te by Materials Project

description: Pa3Te is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Te atoms to form distorted PaPa8Te4 cuboctahedra that share corners with twelve equivalent PaPa8Te4 cuboctahedra, edges with eight equivalent TePa12 cuboctahedra, edges with sixteen equivalent PaPa8Te4 cuboctahedra, faces with four equivalent TePa12 cuboctahedra, and faces with fourteen equivalent PaPa8Te4 cuboctahedra. All Pa–Pa bond lengths are 3.24 Å. All Pa–Te bond lengths are 3.24 Å. Te is bonded to twelve equivalent Pa atoms to form TePa12 cuboctahedra that share corners with twelve equivalent TePa12 cuboctahedra, edges with twenty-four equivalent PaPa8Te4 cuboctahedra, faces with six equivalent TePa12 cuboctahedra, and faces with twelve equivalent PaPa8Te4 cuboctahedra.
DOI: 10.17188/1309679
title: Materials Data on Pa3Ge by Materials Project

description: Pa3Ge is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Ge atoms to form distorted PaPa8Ge4 cuboctahedra that share corners with twelve equivalent PaPa8Ge4 cuboctahedra, edges with eight equivalent GePa12 cuboctahedra, edges with sixteen equivalent PaPa8Ge4 cuboctahedra, faces with four equivalent GePa12 cuboctahedra, and faces with fourteen equivalent PaPa8Ge4 cuboctahedra. All Pa–Pa bond lengths are 3.17 Å. All Pa–Ge bond lengths are 3.17 Å. Ge is bonded to twelve equivalent Pa atoms to form GePa12 cuboctahedra that share corners with twelve equivalent GePa12 cuboctahedra, edges with twenty-four equivalent PaPa8Ge4 cuboctahedra, faces with six equivalent GePa12 cuboctahedra, and faces with twelve equivalent PaPa8Ge4 cuboctahedra.
DOI: 10.17188/1309680
title: Materials Data on PaZn3 by Materials Project

description: PaZn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to twelve equivalent Zn atoms to form a mixture of distorted face and corner-sharing PaZn12 cuboctahedra. There are six shorter (2.97 Å) and six longer (3.15 Å) Pa–Zn bond lengths. Zn is bonded in a 10-coordinate geometry to four equivalent Pa and six equivalent Zn atoms. There are four shorter (2.75 Å) and two longer (2.84 Å) Zn–Zn bond lengths.
DOI: 10.17188/1309681
title: Materials Data on PaTe3 by Materials Project

description: PaTe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa5+ is bonded to twelve equivalent Te+1.67- atoms to form PaTe12 cuboctahedra that share corners with six equivalent PaTe12 cuboctahedra, corners with twelve equivalent TePa4Te8 cuboctahedra, edges with eighteen equivalent TePa4Te8 cuboctahedra, faces with eight equivalent PaTe12 cuboctahedra, and faces with twelve equivalent TePa4Te8 cuboctahedra. There are six shorter (3.35 Å) and six longer (3.37 Å) Pa–Te bond lengths. Te+1.67- is bonded to four equivalent Pa5+ and eight equivalent Te+1.67- atoms to form distorted TePa4Te8 cuboctahedra that share corners with four equivalent PaTe12 cuboctahedra, corners with fourteen equivalent TePa4Te8 cuboctahedra, edges with six equivalent PaTe12 cuboctahedra, edges with twelve equivalent TePa4Te8 cuboctahedra, faces with four equivalent PaTe12 cuboctahedra, and faces with sixteen equivalent TePa4Te8 cuboctahedra. There are a spread of Te–Te bond distances ranging from 3.17–3.53 Å.
DOI: 10.17188/1309682
title: Materials Data on PaSe3 by Materials Project

description: PaSe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa5+ is bonded to twelve equivalent Se+1.67- atoms to form a mixture of face and corner-sharing PaSe12 cuboctahedra. There are six shorter (3.07 Å) and six longer (3.12 Å) Pa–Se bond lengths. Se+1.67- is bonded in a distorted see-saw-like geometry to four equivalent Pa5+ atoms.
DOI: 10.17188/1309683
title: Materials Data on PbBr2 by Materials Project

description: PbBr2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent Br1- atoms to form a mixture of edge and corner-sharing PbBr6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Pb–Br bond lengths are 3.06 Å. Br1- is bonded in a distorted trigonal planar geometry to three equivalent Pb2+ atoms.
DOI: 10.17188/1309684
title: Materials Data on Pa2S3 by Materials Project

description: Pa2S3 is Corundum structured and crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Pa3+ is bonded to six equivalent S2- atoms to form a mixture of face, edge, and corner-sharing PaS6 octahedra. The corner-sharing octahedra tilt angles range from 47–57°. There are three shorter (2.73 Å) and three longer (2.75 Å) Pa–S bond lengths. S2- is bonded to four equivalent Pa3+ atoms to form a mixture of distorted edge and corner-sharing SPa4 trigonal pyramids.
DOI: 10.17188/1309685
title: Materials Data on LiTcO3 by Materials Project

description: LiTcO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li1+ is bonded to twelve equivalent O2- atoms to form LiO12 cuboctahedra that share corners with twelve equivalent LiO12 cuboctahedra, faces with six equivalent LiO12 cuboctahedra, and faces with eight equivalent TcO6 octahedra. All Li–O bond lengths are 2.73 Å. Tc5+ is bonded to six equivalent O2- atoms to form TcO6 octahedra that share corners with six equivalent TcO6 octahedra and faces with eight equivalent LiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tc–O bond lengths are 1.93 Å. O2- is bonded in a distorted linear geometry to four equivalent Li1+ and two equivalent Tc5+ atoms.
DOI: 10.17188/1309686
title: Materials Data on PbCl2 by Materials Project

description: PbCl2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pb2+ is bonded to six equivalent Cl1- atoms to form a mixture of corner and edge-sharing PbCl6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.92 Å) and four longer (2.94 Å) Pb–Cl bond lengths. Cl1- is bonded in a distorted trigonal planar geometry to three equivalent Pb2+ atoms.
DOI: 10.17188/1309687
title: Materials Data on PmAgAu2 by Materials Project

description: PmAu2Ag is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Pm–Au bond lengths are 3.06 Å. Au is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Ag atoms. All Au–Ag bond lengths are 3.06 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1309688
title: Materials Data on AcAgHg2 by Materials Project

description: AcAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ac is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Ac–Ag bond lengths are 3.78 Å. All Ac–Hg bond lengths are 3.27 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Ac and eight equivalent Hg atoms. All Ag–Hg bond lengths are 3.27 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent Ag atoms.
DOI: 10.17188/1309689
title: Materials Data on PmAgHg2 by Materials Project

description: PmAgHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a distorted body-centered cubic geometry to six equivalent Ag and eight equivalent Hg atoms. All Pm–Ag bond lengths are 3.61 Å. All Pm–Hg bond lengths are 3.13 Å. Ag is bonded in a 8-coordinate geometry to six equivalent Pm 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 Pm and four equivalent Ag atoms.
DOI: 10.17188/1309690
title: Materials Data on ThGaAu2 by Materials Project

description: ThAu2Ga is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Th is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Th–Au bond lengths are 3.07 Å. Au is bonded in a body-centered cubic geometry to four equivalent Th and four equivalent Ga atoms. All Au–Ga bond lengths are 3.07 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Au atoms.
DOI: 10.17188/1309691
title: Materials Data on PmAg2Pb by Materials Project

description: PmAg2Pb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a distorted body-centered cubic geometry to eight equivalent Ag and six equivalent Pb atoms. All Pm–Ag bond lengths are 3.15 Å. All Pm–Pb bond lengths are 3.63 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Pb atoms. All Ag–Pb bond lengths are 3.15 Å. Pb is bonded in a distorted body-centered cubic geometry to six equivalent Pm and eight equivalent Ag atoms.
DOI: 10.17188/1309692
title: Materials Data on PmAg2Sn by Materials Project

description: PmAg2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a distorted body-centered cubic geometry to eight equivalent Ag and six equivalent Sn atoms. All Pm–Ag bond lengths are 3.09 Å. All Pm–Sn bond lengths are 3.57 Å. Ag is bonded in a distorted body-centered cubic geometry to four equivalent Pm and four equivalent Sn atoms. All Ag–Sn bond lengths are 3.09 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Pm and eight equivalent Ag atoms.