Final Magnetic Moment0.757 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFiM |
Formation Energy / Atom-2.237 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.324 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. |
Density6.64 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSr(GaO2)2 + Sr7W4O19 + SrWO4 + W |
Band Gap0.889 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 MauguinP1 [1] |
HallP 1 |
Point Group1 |
Crystal Systemtriclinic |
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 1 0> | <0 0 1> | 190.9 |
CeO2 (mp-20194) | <1 0 0> | <0 1 0> | 261.8 |
GaAs (mp-2534) | <1 1 0> | <0 0 1> | 95.5 |
GaAs (mp-2534) | <1 1 1> | <1 1 -1> | 273.2 |
GaN (mp-804) | <0 0 1> | <1 0 1> | 80.9 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 350.1 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 254.6 |
GaN (mp-804) | <1 1 0> | <0 1 0> | 261.8 |
GaN (mp-804) | <1 1 1> | <0 1 0> | 327.3 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 350.1 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 190.9 |
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 159.1 |
LaAlO3 (mp-2920) | <1 0 0> | <0 0 1> | 222.8 |
LaAlO3 (mp-2920) | <1 0 1> | <0 1 1> | 79.4 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 286.4 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 95.5 |
AlN (mp-661) | <0 0 1> | <0 1 0> | 196.4 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 318.2 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 127.3 |
AlN (mp-661) | <1 1 1> | <0 0 1> | 286.4 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 127.3 |
GaAs (mp-2534) | <1 0 0> | <1 0 1> | 161.8 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 31.8 |
DyScO3 (mp-31120) | <0 1 0> | <0 1 0> | 130.9 |
DyScO3 (mp-31120) | <0 1 1> | <0 0 1> | 222.8 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 0> | 134.5 |
DyScO3 (mp-31120) | <1 0 1> | <1 0 1> | 161.8 |
DyScO3 (mp-31120) | <1 1 0> | <1 1 0> | 192.9 |
DyScO3 (mp-31120) | <1 1 1> | <1 1 0> | 289.3 |
ZnSe (mp-1190) | <1 0 0> | <1 0 1> | 161.8 |
ZnSe (mp-1190) | <1 1 0> | <0 0 1> | 95.5 |
ZnSe (mp-1190) | <1 1 1> | <1 1 -1> | 273.2 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 31.8 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 -1> | 91.1 |
KTaO3 (mp-3614) | <1 1 1> | <0 1 0> | 196.4 |
CdS (mp-672) | <0 0 1> | <0 1 1> | 317.6 |
CdS (mp-672) | <1 0 0> | <0 1 0> | 261.8 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 254.6 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 286.4 |
LiF (mp-1138) | <1 1 0> | <0 0 1> | 95.5 |
LiF (mp-1138) | <1 1 1> | <1 0 0> | 201.7 |
Te2W (mp-22693) | <0 1 1> | <0 0 1> | 286.4 |
TePb (mp-19717) | <1 1 0> | <0 1 1> | 317.6 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 190.9 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 286.4 |
Ag (mp-124) | <1 1 0> | <0 0 1> | 95.5 |
Ag (mp-124) | <1 1 1> | <0 0 1> | 286.4 |
Bi2Te3 (mp-34202) | <0 0 1> | <0 0 1> | 254.6 |
GaSe (mp-1943) | <0 0 1> | <0 1 0> | 261.8 |
BN (mp-984) | <0 0 1> | <0 0 1> | 190.9 |
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 |
---|---|---|---|
Sr2Co2O5 (mp-645208) | 0.6503 | 0.000 | 3 |
K2V2O5 (mp-1099837) | 0.6445 | 0.306 | 3 |
Hg9P5I6 (mp-569421) | 0.6484 | 0.000 | 3 |
Sr2Co2O5 (mp-556076) | 0.6263 | 0.252 | 3 |
Eu2Ni2O5 (mp-1097890) | 0.6277 | 0.189 | 3 |
Sr2GaMo2O7 (mvc-303) | 0.5195 | 0.305 | 4 |
Sr2MnGaO5 (mp-542432) | 0.6157 | 0.000 | 4 |
Sr2V2GaO7 (mvc-405) | 0.6515 | 0.372 | 4 |
Sr2GaSb2O7 (mvc-10751) | 0.6918 | 0.123 | 4 |
Sr8Fe7CoO20 (mp-1076165) | 0.6970 | 0.734 | 4 |
La7SmCo6(CuO10)2 (mp-1076871) | 0.6678 | 0.372 | 5 |
La7SmCo5Cu3O20 (mp-1076880) | 0.6542 | 0.307 | 5 |
Sr7CaFe4(CoO5)4 (mp-1076159) | 0.6218 | 0.036 | 5 |
Sr5Ca3FeCo7O20 (mp-1099816) | 0.6734 | 0.029 | 5 |
Sr7CaFe5Co3O20 (mp-1100087) | 0.6847 | 0.032 | 5 |
Run TypeGGA+U |
Energy Cutoff520 eV |
# of K-pointsNone |
U ValuesW: 6.2 eV |
PseudopotentialsVASP PAW: Sr_sv Ga_d W_pv O |
Final Energy/Atom-6.6817 eV |
Corrected Energy-187.5967 eV
-187.5967 eV = -160.3607 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)