Materials Literature
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Hf2Ru3Si4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded in a 7-coordinate geometry to seven Si4- atoms. There are a spread of Hf–Si bond distances ranging from 2.75–3.30 Å. In the second Hf4+ site, Hf4+…
Eu2(MoO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Eu3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.42–2.55 Å. There are two inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded in a tetrahedra…
LiCaMg6 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Li is bonded to two equivalent Ca and ten Mg atoms to form LiCa2Mg10 cuboctahedra that share corners with four equivalent CaLi2Mg10 cuboctahedra, corners with six equivalent LiCa2Mg10 cuboctahedra, corners with eight equival…
Sm6Co2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 4-coordinate geometry to two Co and two Ga atoms. There are one shorter (2.74 Å) and one longer (3.33 Å) Sm–Co bond lengths. There are one short…
Sm3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sm3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent…
Cu(NH3)2Br crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hydrobromic acid molecules and four Cu(NH3)2 clusters. In each Cu(NH3)2 cluster, Cu1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Cu–N bond lengths are 1.91 Å. N3- is bonded to one Cu…
Ni4(PO4)3 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are two inequivalent Ni+2.25+ sites. In the first Ni+2.25+ site, Ni+2.25+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent NiO6 octahedra, corners with four PO4 tetrahedra, edge…
K2LiTa6(PO8)3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 3.01–3.47 Å. In the second K1+ site, K1+ is bon…
Bi-metal material consisting of spray-formed Al-22Si and ZL104 is a suitable candidate for applications in internal combustion engines. This research investigated the effects of surface treatment and appropriate gating system on the microstructures and mechanical properties in evaluating the optimal strategy for produ…
Li7P3S11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are seven inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five S2- atoms to form distorted LiS5 trigonal bipyramids that share corners with three equivalent LiS4 tetrahedra, corners with three PS4 tetra…
CaMn6SiO12 is Hausmannite-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.32 Å) and four longer (2.49 Å) Ca–O bond lengths. There are three inequivalent Mn3+ si…
ErTlO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Er3+ is bonded to six equivalent O2- atoms to form edge-sharing ErO6 octahedra. All Er–O bond lengths are 2.28 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Tl–O…
MnCoGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn is bonded in a 11-coordinate geometry to six equivalent Co and five equivalent Ge atoms. There are a spread of Mn–Co bond distances ranging from 2.70–2.81 Å. There are a spread of Mn–Ge bond distances ranging from 2.57–2.6…
Ca(RuP)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a distorted body-centered cubic geometry to eight equivalent P3- atoms. All Ca–P bond lengths are 3.17 Å. Ru2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing RuP4 tetra…
Mg30ZnSnO32 is alpha Po-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are eight inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent ZnO6 octahedra, corners wi…
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
WTe2(MoTe2)2MoS2 is Molybdenite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one MoS2 sheet oriented in the (0, 0, 1) direction; two MoTe2 sheets oriented in the (0, 0, 1) direction; and one WTe2 sheet oriented in the (0, 0, 1) direction. In the…
Ba2HgSn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Sn atoms. All Ba–Hg bond lengths are 3.69 Å. All Ba–Sn bond lengths are 3.69 Å. Hg is bonded in a body-centered cub…
Mg14TiBO16 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share corners with two equivalent MgO6 octahedra, corners with two equivalent TiO6 octahedra, and edges w…
Al2O3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are sixteen inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to five O2- atoms to form distorted AlO5 square pyramids that share corners with five AlO6 octahedra, a cornercorner with one AlO4 tetrahedra, and ed…