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-1.956 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.162 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. |
Density5.13 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnO2 |
Band Gap2.101 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 MauguinP63/mmc [194] |
Hall-P 6c 2c |
Point Group6/mmm |
Crystal Systemhexagonal |
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] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 171.7 |
LaAlO3 (mp-2920) | <1 0 1> | <0 0 1> | 225.9 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 108.4 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 236.5 |
AlN (mp-661) | <1 1 1> | <1 0 0> | 170.7 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 126.5 |
GaAs (mp-2534) | <1 1 1> | <0 0 1> | 171.7 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 170.7 |
AlN (mp-661) | <1 0 1> | <1 1 0> | 177.4 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 90.4 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 204.8 |
BaF2 (mp-1029) | <1 1 0> | <1 0 1> | 282.5 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 162.6 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 177.4 |
BaF2 (mp-1029) | <1 1 1> | <0 0 1> | 280.1 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 9.0 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 34.1 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 135.5 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 59.1 |
GaN (mp-804) | <1 1 1> | <0 0 1> | 153.6 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 63.2 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 144.6 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 316.2 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 144.6 |
SiO2 (mp-6930) | <1 1 1> | <0 0 1> | 316.2 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 204.8 |
KCl (mp-23193) | <1 1 1> | <0 0 1> | 280.1 |
KCl (mp-23193) | <1 1 0> | <1 0 1> | 282.5 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 90.4 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 1> | 176.6 |
DyScO3 (mp-31120) | <0 1 1> | <0 0 1> | 54.2 |
DyScO3 (mp-31120) | <1 0 1> | <0 0 1> | 54.2 |
DyScO3 (mp-31120) | <1 0 0> | <1 1 0> | 177.4 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 189.7 |
InAs (mp-20305) | <1 1 1> | <0 0 1> | 63.2 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 162.6 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 177.4 |
ZnSe (mp-1190) | <1 1 1> | <0 0 1> | 171.7 |
KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 162.6 |
KTaO3 (mp-3614) | <1 1 1> | <0 0 1> | 27.1 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 81.3 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 63.2 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 239.0 |
CdS (mp-672) | <1 0 1> | <0 0 1> | 334.3 |
CdS (mp-672) | <1 1 0> | <1 1 0> | 295.6 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 316.2 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 352.4 |
LiF (mp-1138) | <1 1 0> | <1 0 0> | 307.2 |
LiF (mp-1138) | <1 1 1> | <0 0 1> | 117.5 |
Te2W (mp-22693) | <1 1 1> | <0 0 1> | 225.9 |
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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Piezoelectric Tensor eij (C/m2) |
|||||
---|---|---|---|---|---|
0.00000 | 0.00000 | 0.00000 | 0.00000 | 0.00000 | 0.00000 |
0.00000 | 0.00000 | 0.00000 | 0.00000 | 0.00000 | 0.00000 |
0.00000 | 0.00000 | 0.00000 | 0.00000 | 0.00000 | 0.00000 |
Piezoelectric Modulus ‖eij‖max0.00000 C/m2 |
Crystallographic Direction vmax |
---|
1.00000 |
0.00000 |
0.00000 |
Dielectric Tensor εij∞ (electronic contribution) |
||
---|---|---|
2.35 | 0.00 | 0.02 |
0.00 | 4.10 | 0.00 |
0.02 | 0.00 | 4.10 |
Dielectric Tensor εij (total) |
||
---|---|---|
2.86 | 0.00 | 0.02 |
0.00 | 9.65 | 0.00 |
0.02 | 0.00 | 9.65 |
Polycrystalline dielectric constant
εpoly∞
3.52
|
Polycrystalline dielectric constant
εpoly
7.39
|
Refractive Index n1.88 |
Potentially ferroelectric?Unknown |
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
BaSr2I6 (mp-752439) | 0.5084 | 0.027 | 3 |
TlCoO3 (mp-770150) | 0.5235 | 0.054 | 3 |
CuAsO3 (mp-776320) | 0.5085 | 0.092 | 3 |
ZnSiO3 (mp-1020623) | 0.5089 | 0.148 | 3 |
LiRuN (mp-1029251) | 0.5462 | 0.000 | 3 |
Li2ZrTeO6 (mp-6782) | 0.6452 | 0.012 | 4 |
LiV(OF)2 (mp-764229) | 0.6567 | 0.031 | 4 |
LiV2OF5 (mp-765917) | 0.6525 | 0.211 | 4 |
Na2GeTeO6 (mp-10340) | 0.6704 | 0.000 | 4 |
Zn2MoWO6 (mvc-6039) | 0.6682 | 0.027 | 4 |
VO2 (mvc-11573) | 0.2085 | 0.267 | 2 |
MnO2 (mvc-11561) | 0.2143 | 0.015 | 2 |
FeO2 (mvc-11541) | 0.1763 | 0.317 | 2 |
CoO2 (mp-1062939) | 0.1885 | 0.008 | 2 |
NiO2 (mvc-6929) | 0.2326 | 0.149 | 2 |
Li4ZrNb(TeO6)2 (mp-756177) | 0.6445 | 0.058 | 5 |
Li4Cr2TeWO12 (mp-775566) | 0.7109 | 0.080 | 5 |
Li4Mn2TeWO12 (mp-768044) | 0.7144 | 0.056 | 5 |
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-6.1226 eV |
Corrected Energy-39.5449 eV
-39.5449 eV = -36.7357 eV (uncorrected energy) - 2.8092 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)