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-1.837 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.286 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. |
Density7.23 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnO2 |
Band Gap0.439 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 MauguinPnma [62] |
Hall-P 2ac 2n |
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) | <0 0 1> | <1 0 0> | 193.9 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 132.6 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 189.5 |
AlN (mp-661) | <1 1 1> | <0 0 1> | 56.8 |
GaAs (mp-2534) | <1 1 0> | <0 1 1> | 322.6 |
LaAlO3 (mp-2920) | <1 0 0> | <0 0 1> | 208.4 |
LaAlO3 (mp-2920) | <1 0 1> | <1 0 1> | 302.1 |
AlN (mp-661) | <1 0 0> | <1 0 1> | 172.7 |
AlN (mp-661) | <1 1 0> | <1 0 0> | 77.6 |
CeO2 (mp-20194) | <1 0 0> | <0 1 0> | 235.0 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 170.5 |
GaN (mp-804) | <0 0 1> | <0 1 1> | 161.3 |
GaN (mp-804) | <1 0 0> | <1 0 1> | 86.3 |
GaN (mp-804) | <1 0 1> | <1 1 0> | 233.8 |
GaN (mp-804) | <1 1 1> | <1 0 1> | 86.3 |
GaAs (mp-2534) | <1 0 0> | <1 0 1> | 129.5 |
BaF2 (mp-1029) | <1 0 0> | <0 1 1> | 161.3 |
BaF2 (mp-1029) | <1 1 0> | <0 1 1> | 225.8 |
GaN (mp-804) | <1 1 0> | <1 0 1> | 86.3 |
SiO2 (mp-6930) | <0 0 1> | <1 0 0> | 349.0 |
SiO2 (mp-6930) | <1 0 0> | <1 1 1> | 252.2 |
SiO2 (mp-6930) | <1 0 1> | <0 1 1> | 258.1 |
SiO2 (mp-6930) | <1 1 0> | <0 1 0> | 287.2 |
SiO2 (mp-6930) | <1 1 1> | <1 0 0> | 155.1 |
KCl (mp-23193) | <1 0 0> | <0 1 1> | 161.3 |
KCl (mp-23193) | <1 1 0> | <0 1 1> | 225.8 |
KCl (mp-23193) | <1 1 1> | <0 0 1> | 284.2 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 151.6 |
DyScO3 (mp-31120) | <1 0 1> | <1 1 0> | 327.3 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 1> | 43.2 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 0> | 155.1 |
DyScO3 (mp-31120) | <1 0 0> | <0 1 1> | 322.6 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 1> | 129.5 |
DyScO3 (mp-31120) | <1 1 1> | <0 0 1> | 284.2 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 94.7 |
ZnSe (mp-1190) | <1 0 0> | <1 0 1> | 129.5 |
ZnSe (mp-1190) | <1 1 0> | <0 1 1> | 322.6 |
KTaO3 (mp-3614) | <1 1 0> | <0 1 1> | 161.3 |
KTaO3 (mp-3614) | <1 1 1> | <0 1 1> | 290.3 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 75.8 |
CdS (mp-672) | <1 0 0> | <0 1 1> | 225.8 |
CdS (mp-672) | <1 0 1> | <0 0 1> | 341.1 |
CdS (mp-672) | <1 1 0> | <0 0 1> | 341.1 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 151.6 |
LiF (mp-1138) | <1 0 0> | <1 0 1> | 129.5 |
LiF (mp-1138) | <1 1 1> | <0 1 1> | 290.3 |
LiF (mp-1138) | <1 1 0> | <0 1 1> | 161.3 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 113.7 |
Te2W (mp-22693) | <0 1 1> | <1 0 1> | 172.7 |
Te2W (mp-22693) | <1 0 0> | <0 0 1> | 303.2 |
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 |
---|---|---|---|
BiOF (mp-762304) | 0.6049 | 0.007 | 3 |
BaLaCl5 (mp-770427) | 0.6343 | 0.063 | 3 |
La4Ni3Pb4 (mp-602393) | 0.6158 | 0.154 | 3 |
Ba2YCl7 (mp-768973) | 0.4333 | 0.079 | 3 |
BaBrCl (mp-28049) | 0.6126 | 0.048 | 3 |
PbCl2 (mp-23291) | 0.6085 | 0.006 | 2 |
MgH2 (mp-569051) | 0.6078 | 0.040 | 2 |
Mg3Si4 (mp-1074957) | 0.6210 | 0.189 | 2 |
PbBr2 (mp-28077) | 0.5489 | 0.016 | 2 |
BRh2 (mp-21502) | 0.5541 | 0.070 | 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-5.9982 eV |
Corrected Energy-77.5969 eV
-77.5969 eV = -71.9786 eV (uncorrected energy) - 5.6183 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)