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-1.575 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.071 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. |
Density5.57 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnO |
Band Gap1.479 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 MauguinPmn21 [31] |
HallP 2ac 2 |
Point Groupmm2 |
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%)
Select an element to display a spectrum averaged over all sites of that element in the structure.
Apply Gaussian smoothing:
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> | <1 1 0> | 155.7 |
LaAlO3 (mp-2920) | <1 0 0> | <1 1 0> | 218.0 |
LaAlO3 (mp-2920) | <1 0 1> | <1 1 0> | 155.7 |
AlN (mp-661) | <1 0 1> | <1 1 0> | 124.6 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 186.9 |
AlN (mp-661) | <1 1 1> | <1 1 0> | 280.3 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 244.4 |
GaAs (mp-2534) | <1 0 0> | <0 1 0> | 96.0 |
BaF2 (mp-1029) | <1 1 1> | <0 1 0> | 134.4 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 220.7 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 244.4 |
SiO2 (mp-6930) | <1 1 0> | <1 1 0> | 93.4 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 330.7 |
KCl (mp-23193) | <1 1 1> | <0 1 0> | 134.4 |
DyScO3 (mp-31120) | <0 0 1> | <1 1 0> | 31.1 |
DyScO3 (mp-31120) | <1 0 0> | <1 1 0> | 93.4 |
DyScO3 (mp-31120) | <1 0 1> | <1 1 0> | 218.0 |
DyScO3 (mp-31120) | <1 1 0> | <0 1 0> | 191.9 |
AlN (mp-661) | <0 0 1> | <1 1 0> | 155.7 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 129.4 |
InAs (mp-20305) | <1 1 1> | <0 1 0> | 134.4 |
CeO2 (mp-20194) | <1 1 0> | <1 1 0> | 124.6 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 93.4 |
ZnSe (mp-1190) | <1 1 1> | <0 1 1> | 287.8 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 93.4 |
GaAs (mp-2534) | <1 1 1> | <0 1 1> | 287.8 |
BaF2 (mp-1029) | <1 0 0> | <1 1 1> | 240.1 |
BaF2 (mp-1029) | <1 1 0> | <0 1 1> | 215.8 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 73.6 |
GaN (mp-804) | <1 0 1> | <1 1 1> | 205.8 |
GaN (mp-804) | <1 1 0> | <1 0 0> | 122.6 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 122.6 |
SiO2 (mp-6930) | <0 0 1> | <0 1 0> | 134.4 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 186.9 |
SiO2 (mp-6930) | <1 1 1> | <0 1 0> | 211.1 |
DyScO3 (mp-31120) | <0 1 0> | <1 1 0> | 218.0 |
DyScO3 (mp-31120) | <0 1 1> | <0 0 1> | 215.6 |
DyScO3 (mp-31120) | <1 1 1> | <0 1 0> | 287.9 |
InAs (mp-20305) | <1 0 0> | <1 0 1> | 113.7 |
InAs (mp-20305) | <1 1 0> | <0 1 1> | 215.8 |
ZnSe (mp-1190) | <1 0 0> | <0 1 0> | 96.0 |
KTaO3 (mp-3614) | <1 0 0> | <0 1 0> | 96.0 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 93.4 |
KTaO3 (mp-3614) | <1 1 1> | <0 1 0> | 57.6 |
CdS (mp-672) | <0 0 1> | <0 1 1> | 119.9 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 28.8 |
CdS (mp-672) | <1 0 1> | <0 0 1> | 129.4 |
CdS (mp-672) | <1 1 0> | <0 1 1> | 48.0 |
CdS (mp-672) | <1 1 1> | <1 0 1> | 255.8 |
LiF (mp-1138) | <1 0 0> | <0 1 0> | 134.4 |
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) |
|||||
---|---|---|---|---|---|
0.59306 | -0.09585 | -0.04223 | 0.00000 | 0.00000 | 0.00000 |
0.00000 | 0.00000 | 0.00000 | 0.00000 | 0.00000 | -0.05368 |
0.00000 | 0.00000 | 0.00000 | 0.00000 | -0.40208 | 0.00000 |
Piezoelectric Modulus ‖eij‖max0.60224 C/m2 |
Crystallographic Direction vmax |
---|
1.00000 |
0.00000 |
0.00000 |
Dielectric Tensor εij∞ (electronic contribution) |
||
---|---|---|
5.70 | 0.00 | 0.00 |
0.00 | 6.28 | 0.00 |
0.00 | 0.00 | 7.70 |
Dielectric Tensor εij (total) |
||
---|---|---|
11.16 | 0.00 | 0.00 |
0.00 | 9.65 | 0.00 |
0.00 | 0.00 | 13.97 |
Polycrystalline dielectric constant
εpoly∞
6.56
|
Polycrystalline dielectric constant
εpoly
11.59
|
Refractive Index n2.56 |
Potentially ferroelectric?Unknown |
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-5.6935 eV |
Corrected Energy-24.1786 eV
-24.1786 eV = -22.7740 eV (uncorrected energy) - 1.4046 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)