Final Magnetic Moment0.000 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-1.878 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.246 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. |
Density7.34 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnO2 |
Band Gap0.451 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 MauguinFm3m [225] |
Hall-F 4 2 3 |
Point Groupm3m |
Crystal Systemcubic |
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.
Download FEFF Input parameters.
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
BaF2 (mp-1029) | <1 1 0> | <1 1 0> | 112.5 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 132.5 |
GaN (mp-804) | <1 0 1> | <1 0 0> | 291.6 |
GaN (mp-804) | <1 1 1> | <1 1 1> | 321.4 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 112.5 |
SiO2 (mp-6930) | <1 0 1> | <1 0 0> | 291.6 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 212.0 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 112.5 |
DyScO3 (mp-31120) | <0 0 1> | <1 1 0> | 187.4 |
InAs (mp-20305) | <1 0 0> | <1 1 1> | 229.5 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 132.5 |
LaAlO3 (mp-2920) | <0 0 1> | <1 1 1> | 183.6 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 132.5 |
CdS (mp-672) | <0 0 1> | <1 1 1> | 45.9 |
CdS (mp-672) | <1 0 0> | <1 1 0> | 262.4 |
AlN (mp-661) | <0 0 1> | <1 1 1> | 137.7 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 79.5 |
AlN (mp-661) | <1 0 1> | <1 1 1> | 229.5 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 112.5 |
AlN (mp-661) | <1 1 1> | <1 1 0> | 299.9 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 238.5 |
CeO2 (mp-20194) | <1 1 0> | <1 1 0> | 337.4 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 132.5 |
BaF2 (mp-1029) | <1 0 0> | <1 1 1> | 321.4 |
LiF (mp-1138) | <1 1 1> | <1 1 0> | 149.9 |
Te2W (mp-22693) | <1 1 1> | <1 1 1> | 229.5 |
YVO4 (mp-19133) | <0 0 1> | <1 0 0> | 53.0 |
YVO4 (mp-19133) | <1 0 0> | <1 1 0> | 187.4 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 291.6 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 112.5 |
SiO2 (mp-6930) | <0 0 1> | <1 0 0> | 132.5 |
Te2Mo (mp-602) | <0 0 1> | <1 0 0> | 132.5 |
Ag (mp-124) | <1 0 0> | <1 0 0> | 132.5 |
SiO2 (mp-6930) | <1 1 0> | <1 1 0> | 337.4 |
SiO2 (mp-6930) | <1 1 1> | <1 1 0> | 149.9 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 132.5 |
BN (mp-984) | <1 0 1> | <1 0 0> | 265.0 |
BN (mp-984) | <1 1 1> | <1 1 0> | 337.4 |
MoS2 (mp-1434) | <0 0 1> | <1 1 1> | 183.6 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 112.5 |
KTaO3 (mp-3614) | <1 1 1> | <1 1 1> | 321.4 |
CdS (mp-672) | <1 1 0> | <1 1 0> | 149.9 |
Al (mp-134) | <1 1 1> | <1 1 1> | 321.4 |
LiGaO2 (mp-5854) | <0 0 1> | <1 1 0> | 112.5 |
LiGaO2 (mp-5854) | <0 1 0> | <1 0 0> | 132.5 |
LiGaO2 (mp-5854) | <0 1 1> | <1 0 0> | 132.5 |
LiGaO2 (mp-5854) | <1 1 0> | <1 1 0> | 187.4 |
CdTe (mp-406) | <1 0 0> | <1 0 0> | 212.0 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 132.5 |
LiF (mp-1138) | <1 1 0> | <1 1 0> | 75.0 |
Stiffness Tensor Cij (GPa) |
|||||
---|---|---|---|---|---|
624 | 79 | 79 | 0 | 0 | 0 |
79 | 624 | 79 | 0 | 0 | 0 |
79 | 79 | 624 | 0 | 0 | 0 |
0 | 0 | 0 | 52 | 0 | 0 |
0 | 0 | 0 | 0 | 52 | 0 |
0 | 0 | 0 | 0 | 0 | 52 |
Compliance Tensor Sij (10-12Pa-1) |
|||||
---|---|---|---|---|---|
1.7 | -0.2 | -0.2 | 0.0 | -0.0 | 0.0 |
-0.2 | 1.7 | -0.2 | -0.0 | 0.0 | -0.0 |
-0.2 | -0.2 | 1.7 | -0.0 | -0.0 | 0.0 |
0.0 | -0.0 | -0.0 | 19.2 | 0.0 | -0.0 |
-0.0 | 0.0 | -0.0 | 0.0 | 19.2 | -0.0 |
0.0 | -0.0 | 0.0 | -0.0 | -0.0 | 19.2 |
Shear Modulus GV140 GPa |
Bulk Modulus KV260 GPa |
Shear Modulus GR77 GPa |
Bulk Modulus KR260 GPa |
Shear Modulus GVRH109 GPa |
Bulk Modulus KVRH260 GPa |
Elastic Anisotropy4.10 |
Poisson's Ratio0.32 |
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
NbCoSb (mp-31460) | 0.0000 | 0.021 | 3 |
LuSbPt (mp-10194) | 0.0000 | 0.000 | 3 |
LiMgAs (mp-12558) | 0.0000 | 0.000 | 3 |
LiPrSn (mp-12718) | 0.0000 | 0.161 | 3 |
YbCuGe (mp-13306) | 0.0000 | 0.162 | 3 |
TiF2 (mp-282) | 0.0000 | 0.248 | 2 |
Rb2O (mp-1394) | 0.0000 | 0.003 | 2 |
Si2Ru (mp-12874) | 0.0000 | 0.289 | 2 |
Rb2Se (mp-11327) | 0.0000 | 0.000 | 2 |
H2Se (mp-24420) | 0.0000 | 0.701 | 2 |
Explore more synthesis descriptions for materials of composition SnO2.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Sn_d O |
Final Energy/Atom-6.0389 eV |
Corrected Energy-19.5212 eV
-19.5212 eV = -18.1166 eV (uncorrected energy) - 1.4046 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)