cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17188/1311074
title: Materials Data on YbPmAg2 by Materials Project

description: YbPmAg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Yb–Ag bond lengths are 3.20 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Pm–Ag bond lengths are 3.20 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pm atoms.
DOI: 10.17188/1311075
title: Materials Data on Li2AcIn by Materials Project

description: Li2AcIn is Heusler structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent In atoms. There are one shorter (3.17 Å) and three longer (3.19 Å) Li–Ac bond lengths. There are one shorter (3.17 Å) and three longer (3.18 Å) Li–In bond lengths. Ac is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent In atoms. All Ac–In bond lengths are 3.67 Å. In is bonded in a body-centered cubic geometry to eight equivalent Li and six equivalent Ac atoms.
DOI: 10.17188/1311076
title: Materials Data on TiZnCo2 by Materials Project

description: TiCo2Zn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Co atoms. All Ti–Co bond lengths are 2.52 Å. Co is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Zn atoms. All Co–Zn bond lengths are 2.52 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Co atoms.
DOI: 10.17188/1311077
title: Materials Data on Ti3Os by Materials Project

description: Ti3Os is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to four equivalent Ti and four equivalent Os atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Os4 tetrahedra. All Ti–Ti bond lengths are 2.73 Å. All Ti–Os bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 8-coordinate geometry to eight equivalent Ti and six equivalent Os atoms. All Ti–Os bond lengths are 3.16 Å. Os is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.
DOI: 10.17188/1311078
title: Materials Data on Ti3Tl by Materials Project

description: Ti3Tl is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to eight Ti and four equivalent Tl atoms to form TiTi8Tl4 cuboctahedra that share corners with twelve equivalent TiTi8Tl4 cuboctahedra, edges with eight equivalent TlTi12 cuboctahedra, edges with sixteen TiTi8Tl4 cuboctahedra, faces with four equivalent TlTi12 cuboctahedra, and faces with fourteen TiTi8Tl4 cuboctahedra. There are four shorter (2.88 Å) and four longer (3.01 Å) Ti–Ti bond lengths. All Ti–Tl bond lengths are 3.01 Å. In the second Ti site, Ti is bonded to eight equivalent Ti and four equivalent Tl atoms to form TiTi8Tl4 cuboctahedra that share corners with four equivalent TiTi8Tl4 cuboctahedra, corners with eight equivalent TlTi12 cuboctahedra, edges with twenty-four TiTi8Tl4 cuboctahedra, faces with six equivalent TlTi12 cuboctahedra, and faces with twelve TiTi8Tl4 cuboctahedra. All Ti–Tl bond lengths are 2.88 Å. Tl is bonded to twelve Ti atoms to form TlTi12 cuboctahedra that share corners with four equivalent TlTi12 cuboctahedra, corners with eight equivalent TiTi8Tl4 cuboctahedra, edges with eight equivalent TlTi12 cuboctahedra, edges with sixteen equivalent TiTi8Tl4 cuboctahedra, faces with four equivalent TlTi12 cuboctahedra, and faces with fourteen TiTi8Tl4 cuboctahedra.
DOI: 10.17188/1311079
title: Materials Data on BeCo2Si by Materials Project

description: BeCo2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be2+ is bonded in a 6-coordinate geometry to six equivalent Si4- atoms. All Be–Si bond lengths are 2.68 Å. Co1+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing CoSi4 tetrahedra. All Co–Si bond lengths are 2.32 Å. Si4- is bonded in a distorted body-centered cubic geometry to six equivalent Be2+ and eight equivalent Co1+ atoms.
DOI: 10.17188/1311080
title: Materials Data on YbB4Os by Materials Project

description: YbOsB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Yb2+ is bonded in a 2-coordinate geometry to four equivalent Os2- and fourteen B atoms. There are a spread of Yb–Os bond distances ranging from 3.02–3.10 Å. There are a spread of Yb–B bond distances ranging from 2.62–2.76 Å. Os2- is bonded in a 10-coordinate geometry to four equivalent Yb2+, one Os2-, and ten B atoms. The Os–Os bond length is 2.60 Å. There are a spread of Os–B bond distances ranging from 2.27–2.37 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to four equivalent Yb2+, two equivalent Os2-, and three B atoms. There are a spread of B–B bond distances ranging from 1.75–1.85 Å. In the second B site, B is bonded in a 5-coordinate geometry to four equivalent Yb2+, two equivalent Os2-, and three B atoms. The B–B bond length is 1.84 Å. In the third B site, B is bonded in a 3-coordinate geometry to four equivalent Yb2+, two equivalent Os2-, and three B atoms. There is one shorter (1.74 Å) and one longer (1.77 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to two equivalent Yb2+, four equivalent Os2-, and three B atoms. The B–B bond length is 1.74 Å.
DOI: 10.17188/1311081
title: Materials Data on YbPmPt2 by Materials Project

description: YbPmPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Yb–Pt bond lengths are 3.04 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Pm–Pt bond lengths are 3.04 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pm atoms.
DOI: 10.17188/1311082
title: Materials Data on BeSiIr2 by Materials Project

description: BeIr2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Be is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Be–Ir bond lengths are 2.51 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Be and four equivalent Si atoms. All Ir–Si bond lengths are 2.51 Å. Si is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1311083
title: Materials Data on YbPmRh2 by Materials Project

description: YbPmRh2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Yb–Rh bond lengths are 2.98 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Pm–Rh bond lengths are 2.98 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pm atoms.
DOI: 10.17188/1311084
title: Materials Data on YbPmPd2 by Materials Project

description: YbPmPd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Yb–Pd bond lengths are 3.06 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Pm–Pd bond lengths are 3.06 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pm atoms.
DOI: 10.17188/1311085
title: Materials Data on LiZn3 by Materials Project

description: LiZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to fourteen Zn atoms. There are eight shorter (2.66 Å) and six longer (3.07 Å) Li–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded to four equivalent Li and four equivalent Zn atoms to form a mixture of distorted corner, edge, and face-sharing ZnLi4Zn4 tetrahedra. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Zn atoms.
DOI: 10.17188/1311086
title: Materials Data on Yb2HgPb by Materials Project

description: Yb2HgPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Pb atoms. All Yb–Hg bond lengths are 3.32 Å. All Yb–Pb bond lengths are 3.32 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1311087
title: Materials Data on Yb2HgGe by Materials Project

description: Yb2HgGe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Ge atoms. All Yb–Hg bond lengths are 3.17 Å. All Yb–Ge bond lengths are 3.17 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Ge is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1311088
title: Materials Data on CdAg3 by Materials Project

description: Ag3Cd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ag is bonded to eight equivalent Ag and four equivalent Cd atoms to form AgCd4Ag8 cuboctahedra that share corners with four equivalent CdAg12 cuboctahedra, corners with fourteen equivalent AgCd4Ag8 cuboctahedra, edges with six equivalent CdAg12 cuboctahedra, edges with twelve equivalent AgCd4Ag8 cuboctahedra, faces with four equivalent CdAg12 cuboctahedra, and faces with sixteen equivalent AgCd4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.95–2.99 Å. There are two shorter (2.97 Å) and two longer (2.99 Å) Ag–Cd bond lengths. Cd is bonded to twelve equivalent Ag atoms to form CdAg12 cuboctahedra that share corners with six equivalent CdAg12 cuboctahedra, corners with twelve equivalent AgCd4Ag8 cuboctahedra, edges with eighteen equivalent AgCd4Ag8 cuboctahedra, faces with eight equivalent CdAg12 cuboctahedra, and faces with twelve equivalent AgCd4Ag8 cuboctahedra.
DOI: 10.17188/1311089
title: Materials Data on YbPmHg2 by Materials Project

description: YbPmHg2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Yb–Hg bond lengths are 3.27 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Hg atoms. All Pm–Hg bond lengths are 3.27 Å. Hg is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pm atoms.
DOI: 10.34740/kaggle/dsv/1893945
title: YouTube Trending Video Dataset (updated daily)
DOI: 10.17188/1311090
title: Materials Data on LiZn2Rh by Materials Project

description: LiRhZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Rh and eight equivalent Zn atoms. All Li–Rh bond lengths are 3.03 Å. All Li–Zn bond lengths are 2.62 Å. Rh is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Zn atoms. All Rh–Zn bond lengths are 2.62 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Rh atoms.
DOI: 10.17188/1311091
title: Materials Data on Li2AcSn by Materials Project

description: Li2AcSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent Sn atoms. All Li–Ac bond lengths are 3.13 Å. All Li–Sn bond lengths are 3.13 Å. Ac is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Sn atoms. All Ac–Sn bond lengths are 3.62 Å. Sn is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Ac atoms.
DOI: 10.17188/1311092
title: Materials Data on TiVTc2 by Materials Project

description: TiVTc2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti4+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All Ti–Tc bond lengths are 2.65 Å. V2+ is bonded in a body-centered cubic geometry to eight equivalent Tc3- atoms. All V–Tc bond lengths are 2.65 Å. Tc3- is bonded in a body-centered cubic geometry to four equivalent Ti4+ and four equivalent V2+ atoms.
DOI: 10.17188/1311093
title: Materials Data on Li2AcPb by Materials Project

description: Li2AcPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to four equivalent Ac and four equivalent Pb atoms. All Li–Ac bond lengths are 3.18 Å. All Li–Pb bond lengths are 3.18 Å. Ac is bonded in a 8-coordinate geometry to eight equivalent Li and six equivalent Pb atoms. All Ac–Pb bond lengths are 3.68 Å. Pb is bonded in a distorted body-centered cubic geometry to eight equivalent Li and six equivalent Ac atoms.
DOI: 10.17188/1311094
title: Materials Data on TiVRe2 by Materials Project

description: TiVRe2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a body-centered cubic geometry to eight equivalent Re atoms. All Ti–Re bond lengths are 2.67 Å. V is bonded in a body-centered cubic geometry to eight equivalent Re atoms. All V–Re bond lengths are 2.67 Å. Re is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent V atoms.
DOI: 10.17188/1311095
title: Materials Data on Lu2ZnTc by Materials Project

description: Lu2TcZn 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 four equivalent Tc and four equivalent Zn atoms. All Lu–Tc bond lengths are 2.96 Å. All Lu–Zn bond lengths are 2.96 Å. Tc is bonded in a body-centered cubic geometry to eight equivalent Lu atoms. Zn is bonded in a body-centered cubic geometry to eight equivalent Lu atoms.
DOI: 10.17188/1311096
title: Materials Data on Yb2CdSn by Materials Project

description: Yb2CdSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to four equivalent Cd and four equivalent Sn atoms. All Yb–Cd bond lengths are 3.29 Å. All Yb–Sn bond lengths are 3.29 Å. Cd is bonded in a body-centered cubic geometry to eight equivalent Yb atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent Yb atoms.
DOI: 10.17188/1311097
title: Materials Data on MgAlAg2 by Materials Project

description: MgAg2Al 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 eight equivalent Ag atoms. All Mg–Ag bond lengths are 2.83 Å. Ag is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Ag–Al bond lengths are 2.83 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ag atoms.
DOI: 10.17188/1311098
title: Materials Data on YbPmZn2 by Materials Project

description: YbPmZn2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Yb–Zn bond lengths are 3.14 Å. Pm is bonded in a body-centered cubic geometry to eight equivalent Zn atoms. All Pm–Zn bond lengths are 3.14 Å. Zn is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Pm atoms.
DOI: 10.17188/1311099
title: Materials Data on MgAlIr2 by Materials Project

description: MgIr2Al 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 eight equivalent Ir atoms. All Mg–Ir bond lengths are 2.65 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Al atoms. All Ir–Al bond lengths are 2.65 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Ir atoms.
DOI: 10.17188/1311100
title: Materials Data on FeH4Br3N by Materials Project

description: FeBr3NH4 crystallizes in the monoclinic P2_1 space group. The structure is one-dimensional and consists of two ammonium molecules and one FeBr3 ribbon oriented in the (0, 1, 0) direction. In the FeBr3 ribbon, Fe2+ is bonded to six Br1- atoms to form face-sharing FeBr6 octahedra. There are a spread of Fe–Br bond distances ranging from 2.61–2.65 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms. In the second Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Fe2+ atoms.
DOI: 10.17188/1311101
title: Materials Data on Yb2Ni12As7 by Materials Project

description: Yb2Ni12As7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded to six equivalent As3- atoms to form distorted YbAs6 pentagonal pyramids that share corners with six equivalent NiAs5 square pyramids, corners with twelve NiAs4 tetrahedra, edges with twelve NiAs4 tetrahedra, and faces with two equivalent YbAs6 pentagonal pyramids. All Yb–As bond lengths are 2.96 Å. In the second Yb2+ site, Yb2+ is bonded to six equivalent As3- atoms to form distorted YbAs6 pentagonal pyramids that share corners with six equivalent NiAs5 square pyramids, corners with twelve NiAs4 tetrahedra, edges with three equivalent NiAs5 square pyramids, edges with nine NiAs4 tetrahedra, and faces with two equivalent YbAs6 pentagonal pyramids. All Yb–As bond lengths are 2.95 Å. There are four inequivalent Ni+1.42+ sites. In the first Ni+1.42+ site, Ni+1.42+ is bonded to four As3- atoms to form NiAs4 tetrahedra that share corners with two equivalent YbAs6 pentagonal pyramids, corners with four equivalent NiAs5 square pyramids, corners with ten NiAs4 tetrahedra, edges with three YbAs6 pentagonal pyramids, an edgeedge with one NiAs5 square pyramid, and edges with four NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.35–2.42 Å. In the second Ni+1.42+ site, Ni+1.42+ is bonded to four As3- atoms to form NiAs4 tetrahedra that share corners with two equivalent YbAs6 pentagonal pyramids, corners with two equivalent NiAs5 square pyramids, corners with twelve NiAs4 tetrahedra, edges with three YbAs6 pentagonal pyramids, edges with two equivalent NiAs5 square pyramids, and edges with three NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.33–2.38 Å. In the third Ni+1.42+ site, Ni+1.42+ is bonded to five As3- atoms to form distorted NiAs5 square pyramids that share corners with four YbAs6 pentagonal pyramids, corners with four equivalent NiAs5 square pyramids, corners with eight NiAs4 tetrahedra, an edgeedge with one YbAs6 pentagonal pyramid, edges with four equivalent NiAs5 square pyramids, and edges with seven NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.44–2.60 Å. In the fourth Ni+1.42+ site, Ni+1.42+ is bonded to four As3- atoms to form NiAs4 tetrahedra that share corners with four YbAs6 pentagonal pyramids, corners with two equivalent NiAs5 square pyramids, corners with ten NiAs4 tetrahedra, an edgeedge with one YbAs6 pentagonal pyramid, edges with four equivalent NiAs5 square pyramids, and edges with three NiAs4 tetrahedra. There are a spread of Ni–As bond distances ranging from 2.28–2.39 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 9-coordinate geometry to nine Ni+1.42+ atoms. In the second As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Yb2+ and seven Ni+1.42+ atoms. In the third As3- site, As3- is bonded in a 9-coordinate geometry to two equivalent Yb2+ and seven Ni+1.42+ atoms.
DOI: 10.17188/1311102
title: Materials Data on LiZrAu2 by Materials Project

description: LiZrAu2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Li–Au bond lengths are 2.88 Å. Zr is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Zr–Au bond lengths are 2.88 Å. Au is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Zr atoms.
DOI: 10.17188/1311103
title: Materials Data on LiZrIr2 by Materials Project

description: LiZrIr2 is Heusler structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Li–Ir bond lengths. Zr is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. There are two shorter (2.72 Å) and six longer (2.73 Å) Zr–Ir bond lengths. Ir is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Zr atoms.
DOI: 10.17188/1311104
title: Materials Data on Cd2PdRh by Materials Project

description: RhPdCd2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Rh is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Rh–Cd bond lengths are 2.82 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Cd atoms. All Pd–Cd bond lengths are 2.82 Å. Cd is bonded in a body-centered cubic geometry to four equivalent Rh and four equivalent Pd atoms.
DOI: 10.17188/1311105
title: Materials Data on AcTiO3 by Materials Project

description: AcTiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ac3+ is bonded to twelve equivalent O2- atoms to form AcO12 cuboctahedra that share corners with twelve equivalent AcO12 cuboctahedra, faces with six equivalent AcO12 cuboctahedra, and faces with eight equivalent TiO6 octahedra. All Ac–O bond lengths are 2.84 Å. Ti3+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and faces with eight equivalent AcO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–O bond lengths are 2.01 Å. O2- is bonded in a distorted linear geometry to four equivalent Ac3+ and two equivalent Ti3+ atoms.
DOI: 10.17188/1311106
title: Materials Data on Ti2TcPt by Materials Project

description: Ti2TcPt is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti+2.50+ is bonded in a body-centered cubic geometry to four equivalent Tc3- and four equivalent Pt2- atoms. All Ti–Tc bond lengths are 2.71 Å. All Ti–Pt bond lengths are 2.71 Å. Tc3- is bonded in a distorted body-centered cubic geometry to eight equivalent Ti+2.50+ atoms. Pt2- is bonded in a body-centered cubic geometry to eight equivalent Ti+2.50+ atoms.