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-2.038 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.085 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. |
Density5.86 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnO2 |
Band Gap1.229 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%)
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 150.5 |
LaAlO3 (mp-2920) | <1 1 0> | <0 0 1> | 120.4 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 150.5 |
AlN (mp-661) | <1 0 0> | <0 1 1> | 47.4 |
AlN (mp-661) | <1 0 1> | <0 1 0> | 36.6 |
AlN (mp-661) | <1 1 0> | <0 1 1> | 237.0 |
AlN (mp-661) | <1 1 1> | <1 1 1> | 116.1 |
CeO2 (mp-20194) | <1 0 0> | <0 1 1> | 331.8 |
CeO2 (mp-20194) | <1 1 0> | <0 1 0> | 219.7 |
GaAs (mp-2534) | <1 0 0> | <0 1 0> | 256.3 |
GaAs (mp-2534) | <1 1 0> | <0 0 1> | 90.3 |
KCl (mp-23193) | <1 1 0> | <0 1 0> | 183.1 |
DyScO3 (mp-31120) | <0 0 1> | <0 1 0> | 183.1 |
DyScO3 (mp-31120) | <0 1 1> | <0 0 1> | 270.9 |
DyScO3 (mp-31120) | <1 1 1> | <0 1 1> | 142.2 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 120.4 |
BaF2 (mp-1029) | <1 1 0> | <0 1 1> | 284.4 |
GaN (mp-804) | <0 0 1> | <0 1 0> | 36.6 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 120.4 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 150.5 |
GaN (mp-804) | <1 1 0> | <0 1 0> | 183.1 |
GaN (mp-804) | <1 1 1> | <0 1 0> | 256.3 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 240.8 |
KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 90.3 |
KTaO3 (mp-3614) | <1 1 1> | <0 1 0> | 109.8 |
SiO2 (mp-6930) | <0 0 1> | <0 1 0> | 146.4 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 112.1 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 210.7 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 120.4 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 240.8 |
LiF (mp-1138) | <1 0 0> | <0 1 0> | 329.5 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 301.0 |
DyScO3 (mp-31120) | <1 0 0> | <0 0 1> | 90.3 |
DyScO3 (mp-31120) | <1 0 1> | <0 1 0> | 109.8 |
DyScO3 (mp-31120) | <1 1 0> | <0 1 0> | 256.3 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 240.8 |
Te2W (mp-22693) | <0 1 1> | <0 1 1> | 284.4 |
Te2W (mp-22693) | <1 0 0> | <0 1 0> | 292.9 |
ZnSe (mp-1190) | <1 0 0> | <0 1 0> | 256.3 |
ZnSe (mp-1190) | <1 1 0> | <0 0 1> | 90.3 |
CdS (mp-672) | <1 0 1> | <0 1 0> | 292.9 |
TePb (mp-19717) | <1 0 0> | <0 1 0> | 292.9 |
TePb (mp-19717) | <1 1 0> | <0 0 1> | 60.2 |
TePb (mp-19717) | <1 1 1> | <0 0 1> | 150.5 |
Te2Mo (mp-602) | <0 0 1> | <0 1 0> | 146.4 |
Te2Mo (mp-602) | <1 0 0> | <0 0 1> | 331.1 |
LiF (mp-1138) | <1 1 0> | <0 1 0> | 183.1 |
Ag (mp-124) | <1 0 0> | <0 1 1> | 331.8 |
GaSe (mp-1943) | <0 0 1> | <0 1 1> | 189.6 |
YVO4 (mp-19133) | <1 0 0> | <0 0 1> | 240.8 |
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 |
---|---|---|---|
Mn8O13F3 (mp-777432) | 0.3896 | 0.075 | 3 |
Mn2O3F (mp-779352) | 0.3914 | 0.063 | 3 |
Mn8O13F3 (mp-850162) | 0.3895 | 0.075 | 3 |
V6O7F5 (mp-778615) | 0.3998 | 0.032 | 3 |
V6O7F5 (mp-764699) | 0.3878 | 0.029 | 3 |
Cr3Fe2Sb3O16 (mp-775288) | 0.4496 | 0.121 | 4 |
Mn3Cr2Sb3O16 (mp-775041) | 0.4418 | 0.324 | 4 |
V3Cr2Sb3O16 (mp-778794) | 0.4136 | 0.127 | 4 |
Mn3Cr2Co3O16 (mp-772635) | 0.4258 | 0.382 | 4 |
Mn3Fe2Sb3O16 (mp-771758) | 0.4405 | 0.110 | 4 |
CoO2 (mvc-5816) | 0.2180 | 0.082 | 2 |
MnO2 (mvc-12283) | 0.2234 | 0.025 | 2 |
CrO2 (mvc-5834) | 0.1914 | 0.071 | 2 |
FeO2 (mvc-5967) | 0.1284 | 0.388 | 2 |
VO2 (mvc-12071) | 0.3271 | 0.059 | 2 |
Li4MnCr(WO6)2 (mp-761370) | 0.7392 | 0.070 | 5 |
Li4ZrNb(TeO6)2 (mp-756177) | 0.6883 | 0.058 | 5 |
Li7Zr3Nb(TeO6)4 (mp-695434) | 0.7399 | 0.018 | 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-6.1991 eV |
Corrected Energy-160.0161 eV
-160.0161 eV = -148.7795 eV (uncorrected energy) - 11.2366 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)