Final Magnetic Moment0.491 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-2.418 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.372 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. |
Density4.56 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSr3V2O7 + Sr3Ga4O9 + V2O3 + Sr3V2O8 |
Band Gap0.000 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 MauguinIma2 [46] |
HallI 2 2a |
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%)
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 150.3 |
LaAlO3 (mp-2920) | <1 0 0> | <0 0 1> | 210.4 |
LaAlO3 (mp-2920) | <1 0 1> | <0 0 1> | 150.3 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 150.3 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 240.5 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 240.5 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 240.5 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 30.1 |
CeO2 (mp-20194) | <1 1 0> | <0 1 1> | 124.7 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 270.6 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 150.3 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 90.2 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 270.6 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 330.7 |
GaN (mp-804) | <1 1 1> | <0 1 0> | 121.0 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 240.5 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 240.5 |
DyScO3 (mp-31120) | <0 0 1> | <0 1 1> | 124.7 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 90.2 |
DyScO3 (mp-31120) | <0 1 1> | <0 0 1> | 210.4 |
DyScO3 (mp-31120) | <1 0 1> | <0 0 1> | 330.7 |
DyScO3 (mp-31120) | <1 1 1> | <0 0 1> | 210.4 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 150.3 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 270.6 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 150.3 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 150.3 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 270.6 |
YVO4 (mp-19133) | <1 1 0> | <0 0 1> | 330.7 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 300.6 |
Te2Mo (mp-602) | <1 0 1> | <0 0 1> | 270.6 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 150.3 |
Bi2Te3 (mp-34202) | <0 0 1> | <1 1 0> | 172.4 |
GaSe (mp-1943) | <0 0 1> | <0 0 1> | 150.3 |
GaSe (mp-1943) | <1 0 0> | <0 0 1> | 270.6 |
BN (mp-984) | <0 0 1> | <0 0 1> | 270.6 |
BN (mp-984) | <1 0 0> | <0 0 1> | 60.1 |
BN (mp-984) | <1 1 0> | <0 0 1> | 240.5 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 90.2 |
MoS2 (mp-1434) | <1 1 0> | <0 0 1> | 120.2 |
Al (mp-134) | <1 0 0> | <0 0 1> | 150.3 |
LiGaO2 (mp-5854) | <0 0 1> | <0 1 1> | 249.4 |
LiGaO2 (mp-5854) | <0 1 0> | <0 0 1> | 330.7 |
LiGaO2 (mp-5854) | <1 0 0> | <0 0 1> | 180.4 |
LiGaO2 (mp-5854) | <1 0 1> | <0 0 1> | 90.2 |
TeO2 (mp-2125) | <0 0 1> | <1 0 1> | 126.5 |
TeO2 (mp-2125) | <0 1 0> | <0 0 1> | 270.6 |
TeO2 (mp-2125) | <0 1 1> | <0 0 1> | 150.3 |
TeO2 (mp-2125) | <1 1 0> | <0 0 1> | 300.6 |
SiC (mp-7631) | <0 0 1> | <0 0 1> | 150.3 |
SiC (mp-7631) | <1 0 0> | <0 0 1> | 240.5 |
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 |
---|---|---|---|
Na4Co2O5 (mp-779871) | 0.7205 | 0.227 | 3 |
Hg9P5I6 (mp-569421) | 0.6975 | 0.000 | 3 |
La2GaN3 (mp-568036) | 0.7323 | 0.000 | 3 |
Na7Co3O8 (mp-776669) | 0.7389 | 0.233 | 3 |
Sr2GaMo2O7 (mvc-303) | 0.4995 | 0.305 | 4 |
Sr2Cr2GaO7 (mvc-340) | 0.5305 | 0.651 | 4 |
Sr2Mn2GaO7 (mvc-572) | 0.4903 | 0.438 | 4 |
Sr2GaSb2O7 (mvc-10751) | 0.6455 | 0.123 | 4 |
Sr2Ti2GaO7 (mvc-10750) | 0.4645 | 0.293 | 4 |
Ba2AlTlCo2O7 (mvc-2977) | 0.7284 | 0.155 | 5 |
Sr2AlGaCo2O7 (mvc-3397) | 0.6976 | 0.319 | 5 |
Sr2AlGaFe2O7 (mvc-13325) | 0.6612 | 0.448 | 5 |
Run TypeGGA+U |
Energy Cutoff520 eV |
# of K-pointsNone |
U ValuesV: 3.25 eV |
PseudopotentialsVASP PAW: Sr_sv V_pv Ga_d O |
Final Energy/Atom-6.6621 eV |
Corrected Energy-176.4505 eV
-176.4505 eV = -159.8904 eV (uncorrected energy) - 9.8321 eV (MP Anion Correction) - 6.7280 eV (MP Advanced 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)