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-1.200 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.445 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. |
Density6.85 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnO |
Band Gap0.000 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 MauguinP4/nmm [129] |
HallP 4ab 2ab 1ab |
Point Group4/mmm |
Crystal Systemtetragonal |
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.
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substrate material | substrate orientation | film orientation | elastic energy [meV] | MCIA† [Å2] |
---|---|---|---|---|
CsI (mp-614603) | <1 0 0> | <1 0 1> | 0.005 | 308.0 |
C (mp-48) | <0 0 1> | <1 0 1> | 0.013 | 179.7 |
GdScO3 (mp-5690) | <0 0 1> | <1 0 1> | 0.018 | 128.4 |
TiO2 (mp-2657) | <1 0 1> | <1 0 1> | 0.022 | 25.7 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 0.025 | 42.9 |
SrTiO3 (mp-4651) | <0 0 1> | <1 0 1> | 0.029 | 154.0 |
CaCO3 (mp-3953) | <1 0 1> | <1 0 0> | 0.045 | 267.9 |
SiO2 (mp-6930) | <1 1 1> | <1 1 0> | 0.045 | 159.5 |
TiO2 (mp-2657) | <1 1 1> | <1 1 1> | 0.048 | 29.3 |
Cu (mp-30) | <1 1 1> | <1 1 1> | 0.050 | 205.0 |
BN (mp-984) | <1 0 0> | <1 0 0> | 0.052 | 211.5 |
ZrO2 (mp-2858) | <0 1 1> | <1 0 0> | 0.053 | 197.4 |
NdGaO3 (mp-3196) | <1 1 0> | <1 0 1> | 0.055 | 308.0 |
BaF2 (mp-1029) | <1 1 1> | <1 1 1> | 0.062 | 205.0 |
CdS (mp-672) | <1 1 1> | <1 0 0> | 0.063 | 155.1 |
DyScO3 (mp-31120) | <1 0 1> | <1 0 1> | 0.065 | 333.7 |
TePb (mp-19717) | <1 1 1> | <1 0 0> | 0.067 | 225.6 |
TeO2 (mp-2125) | <0 1 0> | <1 0 1> | 0.070 | 205.4 |
LiNbO3 (mp-3731) | <1 1 1> | <1 1 0> | 0.072 | 259.2 |
GaN (mp-804) | <1 1 1> | <1 0 1> | 0.078 | 154.0 |
TiO2 (mp-2657) | <0 0 1> | <0 0 1> | 0.079 | 21.5 |
TeO2 (mp-2125) | <0 0 1> | <1 0 1> | 0.083 | 128.4 |
GaP (mp-2490) | <1 1 0> | <1 0 1> | 0.083 | 128.4 |
Fe2O3 (mp-24972) | <0 0 1> | <1 1 1> | 0.085 | 205.0 |
SrTiO3 (mp-4651) | <1 1 0> | <1 0 1> | 0.086 | 308.0 |
TiO2 (mp-390) | <1 0 0> | <1 0 0> | 0.094 | 296.0 |
Te2W (mp-22693) | <0 1 1> | <1 0 1> | 0.098 | 231.0 |
Si (mp-149) | <1 1 1> | <1 0 0> | 0.101 | 155.1 |
CeO2 (mp-20194) | <1 1 1> | <1 0 0> | 0.102 | 155.1 |
Ag (mp-124) | <1 1 0> | <1 1 0> | 0.102 | 219.3 |
LiGaO2 (mp-5854) | <1 1 1> | <1 1 0> | 0.103 | 279.1 |
LaF3 (mp-905) | <1 0 0> | <1 0 0> | 0.106 | 211.5 |
Mg (mp-153) | <1 0 0> | <1 1 1> | 0.106 | 117.1 |
TbScO3 (mp-31119) | <1 0 1> | <1 0 1> | 0.108 | 333.7 |
GaN (mp-804) | <1 1 0> | <1 0 1> | 0.109 | 205.4 |
MgO (mp-1265) | <1 1 1> | <1 1 0> | 0.111 | 159.5 |
GaSe (mp-1943) | <1 1 0> | <1 1 1> | 0.111 | 117.1 |
Au (mp-81) | <1 1 0> | <1 1 0> | 0.112 | 219.3 |
LiTaO3 (mp-3666) | <1 1 0> | <1 0 0> | 0.113 | 126.9 |
Si (mp-149) | <1 1 0> | <1 0 1> | 0.119 | 128.4 |
SiC (mp-7631) | <1 0 1> | <1 0 0> | 0.121 | 141.0 |
CaF2 (mp-2741) | <1 1 0> | <1 0 1> | 0.122 | 128.4 |
Te2Mo (mp-602) | <1 1 0> | <1 1 0> | 0.123 | 279.1 |
CeO2 (mp-20194) | <1 1 0> | <1 0 1> | 0.125 | 128.4 |
CaF2 (mp-2741) | <1 0 0> | <1 0 1> | 0.130 | 154.0 |
Ge(Bi3O5)4 (mp-23352) | <1 0 0> | <0 0 1> | 0.134 | 107.3 |
Bi2Te3 (mp-34202) | <0 0 1> | <1 0 0> | 0.135 | 155.1 |
Te2Mo (mp-602) | <0 0 1> | <1 1 0> | 0.137 | 119.6 |
NdGaO3 (mp-3196) | <0 0 1> | <1 0 1> | 0.148 | 154.0 |
NdGaO3 (mp-3196) | <0 1 0> | <1 0 1> | 0.152 | 128.4 |
Stiffness Tensor Cij (GPa) |
|||||
---|---|---|---|---|---|
132 | -14 | -14 | 0 | 0 | 0 |
-14 | 268 | 143 | 0 | 0 | 0 |
-14 | 143 | 268 | 0 | 0 | 0 |
0 | 0 | 0 | 67 | 0 | 0 |
0 | 0 | 0 | 0 | 22 | 0 |
0 | 0 | 0 | 0 | 0 | 22 |
Compliance Tensor Sij (10-12Pa-1) |
|||||
---|---|---|---|---|---|
7.7 | 0.3 | 0.3 | 0 | 0 | 0 |
0.3 | 5.2 | -2.8 | 0 | 0 | 0 |
0.3 | -2.8 | 5.2 | 0 | 0 | 0 |
0 | 0 | 0 | 14.9 | 0 | 0 |
0 | 0 | 0 | 0 | 45 | 0 |
0 | 0 | 0 | 0 | 0 | 45 |
Shear Modulus GV59 GPa |
Bulk Modulus KV100 GPa |
Shear Modulus GR38 GPa |
Bulk Modulus KR73 GPa |
Shear Modulus GVRH49 GPa |
Bulk Modulus KVRH86 GPa |
Elastic Anisotropy3.18 |
Poisson's Ratio0.26 |
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
SnO (mp-1065811) | 0.0105 | 0.444 | 2 |
TlC (mp-1058887) | 0.1463 | 2.374 | 2 |
Explore more synthesis descriptions for materials of composition SnO.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Sn_d O |
Final Energy/Atom-5.3195 eV |
Corrected Energy-22.6825 eV
-22.6825 eV = -21.2779 eV (uncorrected energy) - 1.4046 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)