cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1205452
title: Materials Data on MnPd3 by Materials Project

description: Pd3Mn is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mn is bonded to twelve Pd atoms to form MnPd12 cuboctahedra that share corners with four equivalent PdMn4Pd8 cuboctahedra, corners with eight equivalent MnPd12 cuboctahedra, edges with four equivalent MnPd12 cuboctahedra, edges with twenty PdMn4Pd8 cuboctahedra, faces with five equivalent MnPd12 cuboctahedra, and faces with thirteen PdMn4Pd8 cuboctahedra. There are four shorter (2.78 Å) and eight longer (2.79 Å) Mn–Pd bond lengths. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Mn and eight Pd atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with twelve PdMn4Pd8 cuboctahedra, edges with eight equivalent MnPd12 cuboctahedra, edges with sixteen PdMn4Pd8 cuboctahedra, faces with four equivalent MnPd12 cuboctahedra, and faces with fourteen PdMn4Pd8 cuboctahedra. There are four shorter (2.78 Å) and four longer (2.79 Å) Pd–Pd bond lengths. In the second Pd site, Pd is bonded to four equivalent Mn and eight Pd atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with four equivalent MnPd12 cuboctahedra, corners with eight equivalent PdMn4Pd8 cuboctahedra, edges with four equivalent MnPd12 cuboctahedra, edges with twenty PdMn4Pd8 cuboctahedra, faces with five equivalent MnPd12 cuboctahedra, and faces with thirteen PdMn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.79 Å. In the third Pd site, Pd is bonded to four equivalent Mn and eight Pd atoms to form distorted PdMn4Pd8 cuboctahedra that share corners with twelve PdMn4Pd8 cuboctahedra, edges with eight equivalent MnPd12 cuboctahedra, edges with sixteen PdMn4Pd8 cuboctahedra, faces with four equivalent MnPd12 cuboctahedra, and faces with fourteen PdMn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.79 Å.
DOI: 10.17188/1205453
title: Materials Data on TbNi by Materials Project

description: TbNi crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are six inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.89–2.91 Å. In the second Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.86–2.94 Å. In the third Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.87–2.95 Å. In the fourth Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.84–2.96 Å. In the fifth Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.86–2.95 Å. In the sixth Tb site, Tb is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Tb–Ni bond distances ranging from 2.84–2.95 Å. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.56 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. In the third Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.56 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.56 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms. Both Ni–Ni bond lengths are 2.57 Å. In the sixth Ni site, Ni is bonded in a 9-coordinate geometry to seven Tb and two equivalent Ni atoms.
DOI: 10.17188/1205454
title: Materials Data on BaBiAu by Materials Project

description: BaAuBi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 11-coordinate geometry to six equivalent Au and five equivalent Bi atoms. All Ba–Au bond lengths are 3.75 Å. There are three shorter (3.32 Å) and two longer (3.50 Å) Ba–Bi bond lengths. Au is bonded to six equivalent Ba atoms to form distorted AuBa6 octahedra that share corners with twelve equivalent AuBa6 octahedra, corners with twelve equivalent BiBa5 trigonal bipyramids, edges with six equivalent AuBa6 octahedra, faces with two equivalent AuBa6 octahedra, and faces with six equivalent BiBa5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 53°. Bi is bonded to five equivalent Ba atoms to form BiBa5 trigonal bipyramids that share corners with twelve equivalent AuBa6 octahedra, corners with eight equivalent BiBa5 trigonal bipyramids, edges with six equivalent BiBa5 trigonal bipyramids, and faces with six equivalent AuBa6 octahedra. The corner-sharing octahedra tilt angles range from 28–62°.
DOI: 10.17188/1205455
title: Materials Data on SrBiAu by Materials Project

description: SrAuBi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded in a 11-coordinate geometry to six equivalent Au and five equivalent Bi atoms. All Sr–Au bond lengths are 3.60 Å. There are three shorter (3.19 Å) and two longer (3.33 Å) Sr–Bi bond lengths. Au is bonded in a 6-coordinate geometry to six equivalent Sr atoms. Bi is bonded to five equivalent Sr atoms to form a mixture of corner and edge-sharing BiSr5 trigonal bipyramids.
DOI: 10.17188/1205456
title: Materials Data on YbBiAu by Materials Project

description: YbAuBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Bi atoms. All Yb–Au bond lengths are 3.07 Å. All Yb–Bi bond lengths are 3.07 Å. Au is bonded to four equivalent Yb atoms to form AuYb4 tetrahedra that share corners with four equivalent BiYb4 tetrahedra, corners with twelve equivalent AuYb4 tetrahedra, and edges with six equivalent BiYb4 tetrahedra. Bi is bonded to four equivalent Yb atoms to form BiYb4 tetrahedra that share corners with four equivalent AuYb4 tetrahedra, corners with twelve equivalent BiYb4 tetrahedra, and edges with six equivalent AuYb4 tetrahedra.
DOI: 10.17188/1205457
title: Materials Data on Er2SnAu2 by Materials Project

description: Er2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.95 Å) and four longer (3.00 Å) Er–Au bond lengths. All Er–Sn bond lengths are 3.44 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.92 Å) and four longer (3.07 Å) Er–Au bond lengths. All Er–Sn bond lengths are 3.51 Å. Au is bonded in a 8-coordinate geometry to six Er and two equivalent Sn atoms. Both Au–Sn bond lengths are 3.12 Å. Sn is bonded to eight Er and four equivalent Au atoms to form a mixture of distorted face and corner-sharing SnEr8Au4 cuboctahedra.
DOI: 10.17188/1205458
title: Materials Data on Rb3Au7 by Materials Project

description: Rb3Au7 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded to twelve Au+0.43- atoms to form RbAu12 cuboctahedra that share corners with four equivalent RbAu12 cuboctahedra, faces with two equivalent RbAu12 cuboctahedra, and faces with eight equivalent AuRb6Au6 cuboctahedra. There are eight shorter (3.45 Å) and four longer (3.79 Å) Rb–Au bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to two equivalent Rb1+ and twelve Au+0.43- atoms. Both Rb–Rb bond lengths are 3.78 Å. There are a spread of Rb–Au bond distances ranging from 3.56–4.15 Å. There are three inequivalent Au+0.43- sites. In the first Au+0.43- site, Au+0.43- is bonded in a body-centered cubic geometry to four equivalent Rb1+ and four equivalent Au+0.43- atoms. All Au–Au bond lengths are 2.70 Å. In the second Au+0.43- site, Au+0.43- is bonded to six Rb1+ and six Au+0.43- atoms to form distorted AuRb6Au6 cuboctahedra that share corners with ten equivalent AuRb6Au6 cuboctahedra, edges with two equivalent AuRb6Au6 cuboctahedra, faces with two equivalent AuRb6Au6 cuboctahedra, and faces with four equivalent RbAu12 cuboctahedra. There are two shorter (2.77 Å) and four longer (2.86 Å) Au–Au bond lengths. In the third Au+0.43- site, Au+0.43- is bonded in a 10-coordinate geometry to five Rb1+ and five Au+0.43- atoms. There are one shorter (2.87 Å) and one longer (2.96 Å) Au–Au bond lengths.
DOI: 10.17188/1205459
title: Materials Data on BaCuBi by Materials Project

description: BaCuBi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Cu and six equivalent Bi atoms to form a mixture of face and edge-sharing BaCu6Bi6 cuboctahedra. All Ba–Cu bond lengths are 3.66 Å. All Ba–Bi bond lengths are 3.66 Å. Cu is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Bi atoms. All Cu–Bi bond lengths are 2.75 Å. Bi is bonded in a 3-coordinate geometry to six equivalent Ba and three equivalent Cu atoms.
DOI: 10.17188/1205460
title: Materials Data on BaZnSi by Materials Project

description: BaZnSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing BaSi6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Ba–Si bond lengths are 3.53 Å. Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengths are 2.54 Å. Si4- is bonded in a distorted trigonal planar geometry to six equivalent Ba2+ and three equivalent Zn2+ atoms.
DOI: 10.17188/1205461
title: Materials Data on BaZnSn by Materials Project

description: BaZnSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded to six equivalent Zn and six equivalent Sn atoms to form a mixture of edge and face-sharing BaZn6Sn6 cuboctahedra. All Ba–Zn bond lengths are 3.71 Å. All Ba–Sn bond lengths are 3.71 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.74 Å. Sn is bonded in a distorted trigonal planar geometry to six equivalent Ba and three equivalent Zn atoms.
DOI: 10.17188/1205462
title: Materials Data on Ca3BiN by Materials Project

description: BiNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Bi and two equivalent N atoms. All Ca–Bi bond lengths are 3.48 Å. Both Ca–N bond lengths are 2.46 Å. Bi is bonded to twelve equivalent Ca atoms to form BiCa12 cuboctahedra that share corners with twelve equivalent BiCa12 cuboctahedra, faces with six equivalent BiCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N is bonded to six equivalent Ca atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent BiCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.5281/zenodo.4477937
title: Hugoniot and released state of calcite above 200 GPa at planetary impact condition

description: Data include equation of state and adiabatic release state of shocked calcite. All data are gathered in a single Excel spreadsheet with multiple tabs.
DOI: 10.17188/1205463
title: Materials Data on Sr2Bi3 by Materials Project

description: Sr2Bi3 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Sr sites. In the first Sr site, Sr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.49–3.82 Å. In the second Sr site, Sr is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Sr–Bi bond distances ranging from 3.44–3.62 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 6-coordinate geometry to six Sr and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.35 Å. In the second Bi site, Bi is bonded in a 8-coordinate geometry to five Sr and three Bi atoms. There are one shorter (3.14 Å) and one longer (3.46 Å) Bi–Bi bond lengths.
DOI: 10.5281/zenodo.4477936
title: Hugoniot and released state of calcite above 200 GPa at planetary impact condition

description: Data include equation of state and adiabatic release state of shocked calcite. All data are gathered in a single Excel spreadsheet with multiple tabs.
DOI: 10.17188/1205464
title: Materials Data on CaGaPt by Materials Project

description: CaPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to six equivalent Pt and six equivalent Ga atoms. There are a spread of Ca–Pt bond distances ranging from 3.01–3.51 Å. There are a spread of Ca–Ga bond distances ranging from 3.13–3.33 Å. Pt is bonded in a 9-coordinate geometry to six equivalent Ca and four equivalent Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.62–2.66 Å. Ga is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent Pt atoms.
DOI: 10.17188/1205465
title: Materials Data on CaGePt by Materials Project

description: CaPtGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Ge atoms. There are a spread of Ca–Pt bond distances ranging from 3.04–3.32 Å. There are a spread of Ca–Ge bond distances ranging from 3.08–3.28 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Ge atoms. There are three shorter (2.59 Å) and one longer (2.74 Å) Pt–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Pt atoms.
DOI: 10.17188/1205466
title: Materials Data on Ca5Hg3 by Materials Project

description: Ca5Hg3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted square co-planar geometry to six Hg atoms. There are four shorter (3.21 Å) and two longer (3.71 Å) Ca–Hg bond lengths. In the second Ca site, Ca is bonded to five Hg atoms to form a mixture of distorted edge, corner, and face-sharing CaHg5 trigonal bipyramids. There are a spread of Ca–Hg bond distances ranging from 3.21–3.44 Å. There are two inequivalent Hg sites. In the first Hg site, Hg is bonded in a 10-coordinate geometry to ten Ca atoms. In the second Hg site, Hg is bonded in a 8-coordinate geometry to eight Ca atoms.
DOI: 10.17188/1205467
title: Materials Data on Ca3SbN by Materials Project

description: SbNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Ca3Sb framework. In the Ca3Sb framework, Ca2+ is bonded in a linear geometry to two equivalent Sb3- atoms. Both Ca–Sb bond lengths are 2.88 Å. Sb3- is bonded to six equivalent Ca2+ atoms to form corner-sharing SbCa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1205468
title: Materials Data on Ca7Ni4Sn13 by Materials Project

description: Ca7Ni4Sn13 crystallizes in the tetragonal P4/m space group. The structure is three-dimensional. there are three inequivalent Ca sites. In the first Ca site, Ca is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Ca–Ni bond lengths are 3.44 Å. There are a spread of Ca–Sn bond distances ranging from 3.21–3.54 Å. In the second Ca site, Ca is bonded in a 12-coordinate geometry to four equivalent Ni and twelve Sn atoms. All Ca–Ni bond lengths are 3.40 Å. There are eight shorter (3.29 Å) and four longer (3.44 Å) Ca–Sn bond lengths. In the third Ca site, Ca is bonded in a 4-coordinate geometry to ten Sn atoms. There are four shorter (3.37 Å) and six longer (3.60 Å) Ca–Sn bond lengths. Ni is bonded in a 5-coordinate geometry to three Ca and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.56–2.63 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Ca, one Ni, and two Sn atoms. There are one shorter (2.91 Å) and one longer (3.24 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 12-coordinate geometry to five Ca, two equivalent Ni, and one Sn atom. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four Ca and two equivalent Ni atoms. In the fourth Sn site, Sn is bonded to eight equivalent Ca and four equivalent Sn atoms to form face-sharing SnCa8Sn4 cuboctahedra.
DOI: 10.17188/1205469
title: Materials Data on CaZnSn by Materials Project

description: CaZnSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Sn atoms. There are three shorter (3.08 Å) and three longer (3.58 Å) Ca–Zn bond lengths. There are three shorter (3.18 Å) and three longer (3.45 Å) Ca–Sn bond lengths. Zn is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Sn atoms. There are three shorter (2.80 Å) and one longer (3.10 Å) Zn–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Zn atoms.
DOI: 10.17188/1205470
title: Materials Data on Ce2Si3Rh by Materials Project

description: Ce2RhSi3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Ce4+ sites. In the first Ce4+ site, Ce4+ is bonded to twelve equivalent Si4- atoms to form CeSi12 cuboctahedra that share edges with twelve equivalent CeSi8 hexagonal bipyramids, faces with two equivalent CeSi12 cuboctahedra, and faces with six equivalent CeSi8 hexagonal bipyramids. All Ce–Si bond lengths are 3.12 Å. In the second Ce4+ site, Ce4+ is bonded to eight equivalent Si4- atoms to form CeSi8 hexagonal bipyramids that share corners with eight equivalent CeSi8 hexagonal bipyramids, edges with four equivalent CeSi12 cuboctahedra, edges with four equivalent CeSi8 hexagonal bipyramids, faces with two equivalent CeSi12 cuboctahedra, and faces with two equivalent CeSi8 hexagonal bipyramids. All Ce–Si bond lengths are 3.14 Å. Rh4+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Rh–Si bond lengths are 2.38 Å. Si4- is bonded in a 1-coordinate geometry to six Ce4+, one Rh4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.35 Å.
DOI: 10.17188/1205471
title: Materials Data on Ce7Ru3 by Materials Project

description: Ce7Ru3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted water-like geometry to four equivalent Ru atoms. There are two shorter (2.83 Å) and two longer (3.42 Å) Ce–Ru bond lengths. In the second Ce site, Ce is bonded in a 3-coordinate geometry to four equivalent Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.70–3.40 Å. In the third Ce site, Ce is bonded in a 3-coordinate geometry to three equivalent Ru atoms. All Ce–Ru bond lengths are 2.97 Å. Ru is bonded in a 6-coordinate geometry to nine Ce atoms.
DOI: 10.17188/1205472
title: Materials Data on DyTlS2 by Materials Project

description: DyTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Dy3+ is bonded to six equivalent S2- atoms to form DyS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent DyS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Dy–S bond lengths are 2.76 Å. Tl1+ is bonded to six equivalent S2- atoms to form distorted TlS6 octahedra that share corners with six equivalent DyS6 octahedra, edges with six equivalent DyS6 octahedra, and edges with six equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 12°. All Tl–S bond lengths are 3.26 Å. S2- is bonded to three equivalent Dy3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing SDy3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
DOI: 10.17188/1205473
title: Materials Data on Er5Si3 by Materials Project

description: Er5Si3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 3-coordinate geometry to five equivalent Si atoms. There are a spread of Er–Si bond distances ranging from 2.88–3.39 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six equivalent Si atoms. All Er–Si bond lengths are 3.01 Å. Si is bonded in a 9-coordinate geometry to nine Er atoms.
DOI: 10.17188/1205474
title: Materials Data on Li2AlAg by Materials Project

description: Li2AlAg crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Li, six equivalent Ag, and four equivalent Al atoms to form distorted LiLi4Al4Ag6 tetrahedra that share corners with eighteen LiLi4Ag4 tetrahedra and faces with sixteen LiLi4Al4Ag6 tetrahedra. All Li–Li bond lengths are 2.74 Å. All Li–Ag bond lengths are 3.16 Å. All Li–Al bond lengths are 2.74 Å. In the second Li site, Li is bonded to four equivalent Li and four equivalent Ag atoms to form distorted LiLi4Ag4 tetrahedra that share corners with twelve equivalent LiLi4Al4Ag6 tetrahedra, edges with twelve equivalent LiLi4Ag4 tetrahedra, and faces with four equivalent LiLi4Al4Ag6 tetrahedra. All Li–Ag bond lengths are 2.74 Å. Ag is bonded in a distorted body-centered cubic geometry to ten Li and four equivalent Al atoms. All Ag–Al bond lengths are 2.74 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ag atoms.
DOI: 10.17188/1205475
title: Materials Data on ScAlAg2 by Materials Project

description: ScAg2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Sc–Ag bond lengths are 2.87 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Al atoms. All Ag–Al bond lengths are 2.87 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1205476
title: Materials Data on Cd2AgAu by Materials Project

description: AuAgCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Au–Cd bond lengths are 2.94 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Cd atoms. All Ag–Cd bond lengths are 2.94 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Ag atoms.
DOI: 10.17188/1205477
title: Materials Data on Zn2AgAu by Materials Project

description: AuAgZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Au is bonded in a body-centered cubic geometry to six equivalent Ag and eight equivalent Zn atoms. All Au–Ag bond lengths are 3.19 Å. All Au–Zn bond lengths are 2.76 Å. Ag is bonded in a distorted body-centered cubic geometry to six equivalent Au and eight equivalent Zn atoms. All Ag–Zn bond lengths are 2.76 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Au and four equivalent Ag atoms.