Final Magnetic Moment0.008 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingNM |
Formation Energy / Atom-1.361 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.091 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. |
Density6.78 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToAgO + SnO2 |
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 MauguinCmmm [65] |
Hall-C 2 2 |
Point Groupmmm |
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%)
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <1 0 0> | <1 1 0> | 217.1 |
LaAlO3 (mp-2920) | <1 1 0> | <0 0 1> | 245.7 |
AlN (mp-661) | <0 0 1> | <0 1 0> | 173.9 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 178.0 |
AlN (mp-661) | <1 0 1> | <0 1 0> | 198.8 |
AlN (mp-661) | <1 1 0> | <1 0 0> | 106.8 |
AlN (mp-661) | <1 1 1> | <0 1 0> | 149.1 |
CeO2 (mp-20194) | <1 0 0> | <0 1 0> | 173.9 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 81.9 |
CeO2 (mp-20194) | <1 1 1> | <1 1 0> | 303.9 |
GaAs (mp-2534) | <1 0 0> | <1 1 0> | 173.7 |
GaAs (mp-2534) | <1 1 0> | <1 0 0> | 320.5 |
BaF2 (mp-1029) | <1 0 0> | <1 1 0> | 347.4 |
BaF2 (mp-1029) | <1 1 0> | <0 0 1> | 163.8 |
BaF2 (mp-1029) | <1 1 1> | <0 1 0> | 198.8 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 35.6 |
GaN (mp-804) | <1 0 0> | <1 1 0> | 86.8 |
GaN (mp-804) | <1 0 1> | <0 1 0> | 248.5 |
GaN (mp-804) | <1 1 0> | <0 1 0> | 273.3 |
GaN (mp-804) | <1 1 1> | <0 1 0> | 149.1 |
SiO2 (mp-6930) | <0 0 1> | <0 1 0> | 173.9 |
SiO2 (mp-6930) | <1 0 0> | <1 0 0> | 106.8 |
SiO2 (mp-6930) | <1 0 1> | <0 1 0> | 323.0 |
SiO2 (mp-6930) | <1 1 1> | <0 0 1> | 163.8 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 213.6 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 173.7 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 245.7 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 178.0 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 0> | 106.8 |
DyScO3 (mp-31120) | <1 0 1> | <0 1 0> | 223.6 |
DyScO3 (mp-31120) | <1 1 0> | <0 1 1> | 256.8 |
InAs (mp-20305) | <1 0 0> | <1 1 0> | 347.4 |
InAs (mp-20305) | <1 1 0> | <0 0 1> | 163.8 |
InAs (mp-20305) | <1 1 1> | <0 1 0> | 198.8 |
ZnSe (mp-1190) | <1 0 0> | <1 1 0> | 173.7 |
ZnSe (mp-1190) | <1 1 0> | <1 0 0> | 320.5 |
KTaO3 (mp-3614) | <1 0 0> | <0 1 1> | 256.8 |
KTaO3 (mp-3614) | <1 1 0> | <0 1 0> | 223.6 |
KTaO3 (mp-3614) | <1 1 1> | <0 1 0> | 198.8 |
CdS (mp-672) | <0 0 1> | <0 1 0> | 198.8 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 178.0 |
CdS (mp-672) | <1 0 1> | <1 0 0> | 320.5 |
CdS (mp-672) | <1 1 1> | <1 1 0> | 217.1 |
LiF (mp-1138) | <1 0 0> | <1 0 1> | 267.9 |
LiF (mp-1138) | <1 1 0> | <1 1 0> | 260.5 |
LiF (mp-1138) | <1 1 1> | <0 1 0> | 198.8 |
Te2W (mp-22693) | <0 0 1> | <0 1 0> | 372.7 |
YVO4 (mp-19133) | <0 0 1> | <1 1 0> | 217.1 |
YVO4 (mp-19133) | <1 0 0> | <1 0 0> | 320.5 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 213.6 |
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 |
---|---|---|---|
Cd(PtO2)3 (mp-8212) | 0.4063 | 0.000 | 3 |
Ti4(FeO4)3 (mvc-14970) | 0.7204 | 0.170 | 3 |
LiAgF3 (mp-752699) | 0.6985 | 0.049 | 3 |
LiFeF3 (mp-777672) | 0.6944 | 0.069 | 3 |
Mn(PtO2)3 (mp-18971) | 0.7160 | 0.000 | 3 |
Ca2TaAgO6 (mvc-4204) | 0.6844 | 0.052 | 4 |
Mg2TaSnO6 (mvc-4195) | 0.6627 | 0.196 | 4 |
Mg2TaAgO6 (mvc-4152) | 0.6520 | 0.112 | 4 |
Mg2TaSbO6 (mvc-15354) | 0.6570 | 0.217 | 4 |
Mg2CuSbO6 (mvc-13647) | 0.6219 | 0.105 | 4 |
Mn7O12 (mp-782692) | 0.7290 | 0.048 | 2 |
LaMgTaFeO6 (mvc-9018) | 0.7227 | 0.082 | 5 |
LaMgCrMoO6 (mvc-9867) | 0.7490 | 0.712 | 5 |
LaMgCrSbO6 (mvc-9859) | 0.7415 | 0.842 | 5 |
LaMgCrSnO6 (mvc-9925) | 0.7454 | 0.773 | 5 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Ag Sn_d O |
Final Energy/Atom-5.2769 eV |
Corrected Energy-56.9830 eV
-56.9830 eV = -52.7693 eV (uncorrected energy) - 4.2137 eV (MP Anion Correction)
|
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)