Final Magnetic Moment4.000 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFM |
Formation Energy / Atom-2.519 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.555 eVThe energy of decomposition of this material into the set of most stable materials at this chemical composition, in eV/atom. Stability is tested against all potential chemical combinations that result in the material's composition. For example, a Co2O3 structure would be tested for decomposition against other Co2O3 structures, against Co and O2 mixtures, and against CoO and O2 mixtures. |
Density6.75 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSr3WO6 + Y2O3 + W |
Band Gap0.821 eVIn general, band gaps computed with common exchange-correlation functionals such as the LDA and GGA are severely underestimated. Typically the disagreement is reported to be ~50% in the literature. Some internal testing by the Materials Project supports these statements; typically, we find that band gaps are underestimated by ~40%. We additionally find that several known insulators are predicted to be metallic. |
Hermann MauguinI2cm [46] |
HallI 2c 2 |
Point Groupmm2 |
Crystal Systemorthorhombic |
Calculated powder diffraction pattern; note that peak spacings may be affected due to inaccuracies in calculated cell volume, which is typically overestimated on average by 3% (+/- 6%)
Select an element to display a spectrum averaged over all sites of that element in the structure.
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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
AlN (mp-661) | <1 0 0> | <0 0 1> | 234.8 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 201.3 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 201.3 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 301.9 |
DyScO3 (mp-31120) | <1 0 0> | <0 0 1> | 134.2 |
DyScO3 (mp-31120) | <1 0 1> | <0 0 1> | 167.7 |
DyScO3 (mp-31120) | <1 1 0> | <0 0 1> | 301.9 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 33.5 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 33.5 |
KTaO3 (mp-3614) | <1 1 1> | <0 0 1> | 167.7 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 201.3 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 33.5 |
LiF (mp-1138) | <1 1 0> | <0 1 0> | 140.4 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 301.9 |
BN (mp-984) | <0 0 1> | <0 0 1> | 268.4 |
BN (mp-984) | <1 0 0> | <0 0 1> | 100.6 |
BN (mp-984) | <1 0 1> | <0 0 1> | 268.4 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 335.5 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 301.9 |
AlN (mp-661) | <1 1 1> | <0 0 1> | 201.3 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 301.9 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 33.5 |
GaAs (mp-2534) | <1 1 0> | <0 1 0> | 140.4 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 335.5 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 167.7 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 335.5 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 301.9 |
ZnSe (mp-1190) | <1 1 0> | <0 1 0> | 140.4 |
KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 167.7 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 268.4 |
LiF (mp-1138) | <1 1 1> | <0 0 1> | 167.7 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 167.7 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 33.5 |
Ag (mp-124) | <1 1 0> | <1 0 1> | 146.6 |
Ag (mp-124) | <1 1 1> | <0 0 1> | 234.8 |
GaSe (mp-1943) | <0 0 1> | <0 0 1> | 268.4 |
Al (mp-134) | <1 0 0> | <0 0 1> | 33.5 |
Al (mp-134) | <1 1 0> | <0 1 0> | 140.4 |
Al (mp-134) | <1 1 1> | <0 0 1> | 167.7 |
LiGaO2 (mp-5854) | <0 0 1> | <0 0 1> | 301.9 |
CdTe (mp-406) | <1 0 0> | <0 0 1> | 167.7 |
TeO2 (mp-2125) | <1 0 0> | <0 1 0> | 140.4 |
TeO2 (mp-2125) | <1 0 1> | <0 0 1> | 234.8 |
TeO2 (mp-2125) | <0 0 1> | <0 0 1> | 33.5 |
TeO2 (mp-2125) | <0 1 0> | <0 1 0> | 140.4 |
TeO2 (mp-2125) | <0 1 1> | <0 0 1> | 234.8 |
Fe3O4 (mp-19306) | <1 0 0> | <0 0 1> | 301.9 |
MgO (mp-1265) | <1 0 0> | <0 0 1> | 167.7 |
TiO2 (mp-2657) | <0 0 1> | <0 0 1> | 167.7 |
TiO2 (mp-2657) | <1 0 0> | <0 0 1> | 167.7 |
A full elastic tensor has not been calculated for this material. Registered users can view statistical-learning-based predictions of this material's bulk and shear moduli.
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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
Li2CrSiO4 (mp-762303) | 0.6432 | 0.091 | 4 |
Ag2Pb8Cl4O7 (mp-667327) | 0.5692 | 0.005 | 4 |
Li6Ti2S6O (mp-770212) | 0.6431 | 0.050 | 4 |
Li10Si(PSe6)2 (mp-721253) | 0.6538 | 0.000 | 4 |
Li10Ge(PSe6)2 (mp-721239) | 0.6619 | 0.000 | 4 |
In4Te3 (mp-617281) | 0.6400 | 0.000 | 2 |
Bi4O5 (mp-684589) | 0.6299 | 0.159 | 2 |
Bi2O3 (mp-23262) | 0.6588 | 0.000 | 2 |
Si19Te8 (mp-31135) | 0.7008 | 0.035 | 2 |
In4Se3 (mp-19932) | 0.5979 | 0.017 | 2 |
Li2AgF4 (mp-760781) | 0.4893 | 0.053 | 3 |
Li3AgF4 (mp-758861) | 0.5925 | 0.079 | 3 |
Ag2PS3 (mp-558469) | 0.5913 | 0.002 | 3 |
Li7P3S11 (mp-641703) | 0.5142 | 0.020 | 3 |
Li9Bi5O13 (mp-779282) | 0.4653 | 0.075 | 3 |
Sr2AlGaW2O7 (mvc-16391) | 0.5949 | 0.508 | 5 |
Sr2AlGaCo2O7 (mvc-3397) | 0.6549 | 0.129 | 5 |
Sr2YAlW2O7 (mvc-356) | 0.4957 | 0.476 | 5 |
Sr2AlV2GaO7 (mvc-350) | 0.6704 | 0.334 | 5 |
Sr2YGaSn2O7 (mvc-10742) | 0.6651 | 0.241 | 5 |
Si (mp-644693) | 0.6828 | 0.414 | 1 |
Run TypeGGA+U |
Energy Cutoff520 eV |
# of K-points17 |
U ValuesW: 6.2 eV |
PseudopotentialsVASP PAW: Sr_sv Y_sv W_pv O |
Final Energy/Atom-7.3771 eV |
Corrected Energy-219.0396 eV
-219.0396 eV = -191.8035 eV (uncorrected energy) - 17.4040 eV (MP Advanced Correction) - 9.8321 eV (MP Anion Correction)
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Displaying lattice parameters for primitive cell; note that calculated cell volumes are typically overestimated on average by 3% (+/- 6%). Note the primitive cell may appear less symmetric than the conventional cell representation (see "Structure Type" selector below the 3d structure)