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-0.763 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.015 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. |
Density5.06 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnS |
Band Gap0.797 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 MauguinCmcm [63] |
Hall-C 2c 2 |
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%)
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 | elastic energy [meV] | MCIA† [Å2] |
---|---|---|---|---|
CaF2 (mp-2741) | <1 0 0> | <0 1 0> | 0.000 | 152.0 |
Ga2O3 (mp-886) | <1 0 0> | <1 0 0> | 0.003 | 144.4 |
GaP (mp-2490) | <1 0 0> | <0 1 0> | 0.004 | 152.0 |
LiGaO2 (mp-5854) | <1 0 1> | <0 1 0> | 0.004 | 135.1 |
SiO2 (mp-6930) | <1 1 1> | <1 1 1> | 0.008 | 210.5 |
Ni (mp-23) | <1 1 0> | <1 0 0> | 0.013 | 192.5 |
InAs (mp-20305) | <1 0 0> | <0 1 0> | 0.014 | 152.0 |
YAlO3 (mp-3792) | <0 1 1> | <0 1 0> | 0.016 | 337.8 |
C (mp-66) | <1 1 0> | <1 0 0> | 0.016 | 144.4 |
ZnTe (mp-2176) | <1 0 0> | <0 1 0> | 0.019 | 152.0 |
NdGaO3 (mp-3196) | <1 1 0> | <0 1 0> | 0.021 | 304.0 |
C (mp-48) | <1 1 1> | <1 0 0> | 0.028 | 336.9 |
ZrO2 (mp-2858) | <1 1 0> | <1 1 1> | 0.031 | 280.6 |
Mg (mp-153) | <1 1 1> | <0 1 0> | 0.032 | 270.3 |
Bi2Te3 (mp-34202) | <0 0 1> | <1 0 0> | 0.036 | 240.6 |
SiC (mp-8062) | <1 0 0> | <0 1 0> | 0.040 | 152.0 |
GdScO3 (mp-5690) | <1 0 1> | <0 1 0> | 0.043 | 168.9 |
ZrO2 (mp-2858) | <1 0 1> | <0 1 0> | 0.044 | 304.0 |
CaCO3 (mp-3953) | <0 0 1> | <0 1 0> | 0.047 | 354.7 |
YAlO3 (mp-3792) | <1 0 0> | <0 1 0> | 0.048 | 320.9 |
GaTe (mp-542812) | <1 0 -1> | <0 1 0> | 0.058 | 152.0 |
Ga2O3 (mp-886) | <1 0 -1> | <0 1 0> | 0.058 | 152.0 |
TbScO3 (mp-31119) | <1 0 1> | <0 1 0> | 0.061 | 168.9 |
ZnO (mp-2133) | <1 0 0> | <1 0 0> | 0.064 | 240.6 |
MgAl2O4 (mp-3536) | <1 0 0> | <0 1 0> | 0.065 | 67.6 |
LiAlO2 (mp-3427) | <0 0 1> | <0 1 0> | 0.068 | 135.1 |
MoSe2 (mp-1634) | <1 1 0> | <0 1 0> | 0.074 | 270.3 |
MgAl2O4 (mp-3536) | <1 1 0> | <1 0 0> | 0.075 | 96.3 |
LiF (mp-1138) | <1 0 0> | <0 1 0> | 0.076 | 16.9 |
LiAlO2 (mp-3427) | <1 0 1> | <0 1 0> | 0.078 | 304.0 |
LiF (mp-1138) | <1 1 0> | <1 0 0> | 0.083 | 48.1 |
MgF2 (mp-1249) | <1 0 1> | <1 1 1> | 0.092 | 210.5 |
GaTe (mp-542812) | <1 0 0> | <0 1 0> | 0.096 | 135.1 |
Ge (mp-32) | <1 1 0> | <1 1 1> | 0.096 | 140.3 |
BN (mp-984) | <1 0 0> | <0 1 0> | 0.102 | 287.1 |
LiAlO2 (mp-3427) | <1 1 1> | <0 1 0> | 0.103 | 219.6 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 0.104 | 240.6 |
TeO2 (mp-2125) | <1 0 0> | <1 0 0> | 0.105 | 144.4 |
SiC (mp-8062) | <1 1 1> | <1 0 0> | 0.105 | 336.9 |
DyScO3 (mp-31120) | <1 0 1> | <0 1 0> | 0.109 | 168.9 |
Ga2O3 (mp-886) | <0 1 0> | <1 1 1> | 0.109 | 70.2 |
GaTe (mp-542812) | <1 0 1> | <1 0 0> | 0.110 | 96.3 |
CdSe (mp-2691) | <1 0 0> | <0 1 0> | 0.112 | 152.0 |
SiC (mp-11714) | <1 0 0> | <0 1 0> | 0.113 | 253.4 |
CsI (mp-614603) | <1 0 0> | <0 1 0> | 0.114 | 304.0 |
Ag (mp-124) | <1 1 0> | <1 0 0> | 0.115 | 48.1 |
GaAs (mp-2534) | <1 1 0> | <1 1 1> | 0.119 | 140.3 |
GaTe (mp-542812) | <0 0 1> | <0 1 0> | 0.120 | 152.0 |
Si (mp-149) | <1 0 0> | <0 1 0> | 0.123 | 152.0 |
TeO2 (mp-2125) | <1 0 1> | <0 1 0> | 0.129 | 236.5 |
Stiffness Tensor Cij (GPa) |
|||||
---|---|---|---|---|---|
82 | 3 | 37 | 0 | 0 | 0 |
3 | 35 | 6 | 0 | 0 | 0 |
37 | 6 | 81 | 0 | 0 | 0 |
0 | 0 | 0 | 12 | 0 | 0 |
0 | 0 | 0 | 0 | 53 | 0 |
0 | 0 | 0 | 0 | 0 | 2 |
Compliance Tensor Sij (10-12Pa-1) |
|||||
---|---|---|---|---|---|
15.2 | -0.3 | -6.9 | 0 | 0 | 0 |
-0.3 | 29.2 | -1.9 | 0 | 0 | 0 |
-6.9 | -1.9 | 15.6 | 0 | 0 | 0 |
0 | 0 | 0 | 82 | 0 | 0 |
0 | 0 | 0 | 0 | 18.8 | 0 |
0 | 0 | 0 | 0 | 0 | 426.7 |
Shear Modulus GV24 GPa |
Bulk Modulus KV32 GPa |
Shear Modulus GR8 GPa |
Bulk Modulus KR24 GPa |
Shear Modulus GVRH16 GPa |
Bulk Modulus KVRH28 GPa |
Elastic Anisotropy10.04 |
Poisson's Ratio0.26 |
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
TlCl (mp-571079) | 0.4380 | 0.019 | 2 |
InCl (mp-571555) | 0.4539 | 0.002 | 2 |
SnSe (mp-2168) | 0.1975 | 0.012 | 2 |
PbS (mp-1018115) | 0.3457 | 0.039 | 2 |
GeS (mp-12910) | 0.4206 | 0.044 | 2 |
Explore more synthesis descriptions for materials of composition SnS.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Sn_d S |
Final Energy/Atom-4.4960 eV |
Corrected Energy-19.3109 eV
-19.3109 eV = -17.9840 eV (uncorrected energy) - 1.3269 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)