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-1.895 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.223 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. |
Density5.80 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnO2 |
Band Gap0.791 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 MauguinCm [8] |
HallC 2y |
Point Groupm |
Crystal Systemmonoclinic |
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] |
---|---|---|---|
GaN (mp-804) | <1 1 0> | <0 0 1> | 202.5 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 67.5 |
LiGaO2 (mp-5854) | <0 1 0> | <0 0 1> | 67.5 |
GaSe (mp-1943) | <0 0 1> | <0 0 1> | 202.5 |
LiGaO2 (mp-5854) | <1 1 0> | <0 0 1> | 202.5 |
CdTe (mp-406) | <1 0 0> | <0 0 1> | 135.0 |
LiGaO2 (mp-5854) | <1 0 0> | <1 0 -1> | 140.1 |
TiO2 (mp-2657) | <1 1 0> | <0 0 1> | 135.0 |
C (mp-66) | <1 0 0> | <0 0 1> | 202.5 |
MgO (mp-1265) | <1 0 0> | <0 0 1> | 270.1 |
InSb (mp-20012) | <1 0 0> | <0 0 1> | 135.0 |
BaTiO3 (mp-5986) | <1 1 0> | <0 0 1> | 270.1 |
MoSe2 (mp-1634) | <1 0 0> | <0 0 1> | 202.5 |
MoSe2 (mp-1634) | <1 0 1> | <0 0 1> | 202.5 |
SiC (mp-11714) | <1 1 0> | <0 0 1> | 270.1 |
WSe2 (mp-1821) | <1 0 0> | <0 0 1> | 202.5 |
WSe2 (mp-1821) | <1 0 1> | <0 0 1> | 202.5 |
ZrO2 (mp-2858) | <1 1 -1> | <0 0 1> | 135.0 |
ZnO (mp-2133) | <1 0 0> | <1 0 0> | 138.1 |
TiO2 (mp-390) | <1 0 1> | <0 0 1> | 270.1 |
MgF2 (mp-1249) | <1 1 0> | <0 0 1> | 202.5 |
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 |
---|---|---|---|
NiSeO3 (mp-643029) | 0.6222 | 0.066 | 3 |
Na4Ge9O20 (mp-3153) | 0.6436 | 0.000 | 3 |
Fe2Se2O7 (mp-561440) | 0.6632 | 0.505 | 3 |
CrAsO4 (mp-19077) | 0.6024 | 0.015 | 3 |
Zn(MoO2)4 (mvc-154) | 0.6202 | 0.136 | 3 |
ZnNiAsO5 (mvc-5827) | 0.5483 | 0.079 | 4 |
VZnAsO5 (mvc-5769) | 0.5922 | 0.041 | 4 |
ZnCrAsO5 (mvc-5726) | 0.5669 | 0.061 | 4 |
MgCrAsO5 (mvc-5565) | 0.5313 | 0.862 | 4 |
TiZnAsO5 (mvc-5500) | 0.5435 | 0.244 | 4 |
FeO2 (mvc-11999) | 0.6045 | 0.372 | 2 |
CrO2 (mvc-11581) | 0.7029 | 0.166 | 2 |
NiO2 (mvc-6939) | 0.5501 | 0.456 | 2 |
BiO2 (mvc-5220) | 0.7238 | 0.174 | 2 |
CoO2 (mvc-6933) | 0.6163 | 0.254 | 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-6.0617 eV |
Corrected Energy-313.4367 eV
-313.4367 eV = -290.9634 eV (uncorrected energy) - 22.4733 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)