Final Magnetic Moment0.001 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-2.121 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.002 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. |
Density6.63 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnO2 |
Band Gap0.823 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 MauguinPnnm [58] |
Hall-P 2 2n |
Point Groupmmm |
Crystal Systemorthorhombic |
Topological Classificationtrivial*
|
SubclassificationLCEBR†
|
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] |
---|---|---|---|
AlN (mp-661) | <0 0 1> | <0 0 1> | 93.1 |
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 186.2 |
LaAlO3 (mp-2920) | <1 1 0> | <0 0 1> | 124.1 |
AlN (mp-661) | <1 0 0> | <1 0 1> | 112.0 |
AlN (mp-661) | <1 0 1> | <1 0 1> | 56.0 |
AlN (mp-661) | <1 1 0> | <1 1 1> | 192.8 |
AlN (mp-661) | <1 1 1> | <1 0 0> | 116.5 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 116.5 |
CeO2 (mp-20194) | <1 1 0> | <1 1 1> | 128.5 |
CeO2 (mp-20194) | <1 1 1> | <1 1 1> | 257.1 |
GaAs (mp-2534) | <1 0 0> | <1 0 1> | 168.0 |
GaAs (mp-2534) | <1 1 0> | <1 0 1> | 140.0 |
GaAs (mp-2534) | <1 1 1> | <0 1 0> | 173.5 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 108.6 |
GaN (mp-804) | <1 0 0> | <0 1 1> | 66.4 |
GaN (mp-804) | <1 1 0> | <1 0 0> | 116.5 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 116.5 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 186.2 |
GaN (mp-804) | <1 0 1> | <1 0 1> | 56.0 |
SiO2 (mp-6930) | <1 0 0> | <1 1 1> | 192.8 |
SiO2 (mp-6930) | <1 0 1> | <1 1 0> | 140.7 |
SiO2 (mp-6930) | <1 1 1> | <1 0 0> | 209.7 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 124.1 |
SiO2 (mp-6930) | <1 1 0> | <0 1 1> | 287.6 |
KCl (mp-23193) | <1 1 0> | <0 1 1> | 177.0 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 1> | 140.0 |
DyScO3 (mp-31120) | <1 0 1> | <1 0 1> | 56.0 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 302.9 |
DyScO3 (mp-31120) | <1 1 1> | <0 0 1> | 139.7 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 186.2 |
ZnSe (mp-1190) | <1 0 0> | <1 0 1> | 168.0 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 1> | 196.0 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 263.8 |
DyScO3 (mp-31120) | <0 1 1> | <0 0 1> | 155.2 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 1> | 196.0 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 1> | 140.0 |
KTaO3 (mp-3614) | <1 1 1> | <1 0 0> | 139.8 |
ZnSe (mp-1190) | <1 1 0> | <1 0 1> | 140.0 |
ZnSe (mp-1190) | <1 1 1> | <0 1 0> | 173.5 |
CdS (mp-672) | <0 0 1> | <1 0 1> | 252.0 |
CdS (mp-672) | <1 0 0> | <0 1 1> | 88.5 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 155.2 |
LiF (mp-1138) | <1 1 1> | <1 0 0> | 139.8 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 155.2 |
Te2W (mp-22693) | <1 0 0> | <1 0 1> | 196.0 |
Te2W (mp-22693) | <1 0 1> | <1 0 1> | 196.0 |
CdS (mp-672) | <1 0 1> | <1 0 1> | 196.0 |
CdS (mp-672) | <1 1 0> | <0 1 1> | 199.1 |
YVO4 (mp-19133) | <1 0 0> | <1 1 1> | 321.3 |
YVO4 (mp-19133) | <1 1 0> | <0 0 1> | 341.4 |
Stiffness Tensor Cij (GPa) |
|||||
---|---|---|---|---|---|
376 | 127 | 127 | 0 | 0 | 0 |
127 | 213 | 138 | 0 | 0 | 0 |
127 | 138 | 214 | 0 | 0 | 0 |
0 | 0 | 0 | 178 | 0 | 0 |
0 | 0 | 0 | 0 | 84 | 0 |
0 | 0 | 0 | 0 | 0 | 84 |
Compliance Tensor Sij (10-12Pa-1) |
|||||
---|---|---|---|---|---|
3.5 | -1.3 | -1.3 | 0.0 | -0.0 | 0 |
-1.3 | 8.5 | -4.7 | -0.0 | 0.0 | 0 |
-1.3 | -4.7 | 8.5 | 0.0 | -0.0 | 0 |
0.0 | -0.0 | 0.0 | 5.6 | -0.0 | 0 |
-0.0 | 0.0 | -0.0 | -0.0 | 11.9 | 0 |
0 | 0 | 0 | 0 | 0 | 11.9 |
Shear Modulus GV96 GPa |
Bulk Modulus KV176 GPa |
Shear Modulus GR75 GPa |
Bulk Modulus KR168 GPa |
Shear Modulus GVRH86 GPa |
Bulk Modulus KVRH172 GPa |
Elastic Anisotropy1.47 |
Poisson's Ratio0.29 |
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
BaCaI4 (mp-753486) | 0.2936 | 0.051 | 3 |
HfZrO4 (mp-754134) | 0.2276 | 0.039 | 3 |
Cr(SbO3)2 (mp-769853) | 0.2029 | 0.063 | 3 |
Ni6OF11 (mp-776653) | 0.2030 | 0.038 | 3 |
Cu(SbO3)2 (mp-554658) | 0.1882 | 0.004 | 3 |
LiFe3(OF3)2 (mp-779990) | 0.2808 | 0.005 | 4 |
LiV3(OF3)2 (mp-868491) | 0.2993 | 0.000 | 4 |
LiCo3(OF3)2 (mp-850982) | 0.2859 | 0.022 | 4 |
Ta2CrNO5 (mp-849504) | 0.3539 | 0.065 | 4 |
AlSb(WO4)2 (mvc-665) | 0.3499 | 0.181 | 4 |
CaCl2 (mp-23214) | 0.1312 | 0.000 | 2 |
GeO2 (mp-1072104) | 0.1270 | 0.006 | 2 |
MnO2 (mp-715432) | 0.1050 | 0.030 | 2 |
NiF2 (mp-566755) | 0.0880 | 0.238 | 2 |
MgF2 (mp-1072956) | 0.1134 | 0.002 | 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-6.2824 eV |
Corrected Energy-40.5035 eV
-40.5035 eV = -37.6943 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)