Final Magnetic Moment0.005 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 / Atom0.113 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.216 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. |
Density7.12 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToInSb |
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 MauguinPm3m [221] |
Hall-P 4 2 3 |
Point Groupm3m |
Crystal Systemcubic |
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] |
---|---|---|---|---|
C (mp-48) | <1 0 0> | <1 0 0> | -0.220 | 58.0 |
CdWO4 (mp-19387) | <0 0 1> | <1 0 0> | -0.127 | 275.5 |
TeO2 (mp-2125) | <0 1 1> | <1 0 0> | -0.111 | 304.5 |
LiGaO2 (mp-5854) | <1 1 0> | <1 0 0> | -0.106 | 145.0 |
GaP (mp-2490) | <1 1 1> | <1 0 0> | -0.104 | 261.0 |
Si (mp-149) | <1 1 1> | <1 0 0> | -0.101 | 261.0 |
CeO2 (mp-20194) | <1 1 1> | <1 0 0> | -0.099 | 261.0 |
SiO2 (mp-6930) | <1 0 1> | <1 0 0> | -0.093 | 319.0 |
GdScO3 (mp-5690) | <0 1 0> | <1 1 0> | -0.092 | 266.5 |
LiAlO2 (mp-3427) | <1 1 1> | <1 1 0> | -0.089 | 164.0 |
ZrO2 (mp-2858) | <1 0 -1> | <1 1 0> | -0.089 | 143.5 |
CaF2 (mp-2741) | <1 1 1> | <1 0 0> | -0.082 | 261.0 |
GdScO3 (mp-5690) | <0 1 1> | <1 1 0> | -0.080 | 164.0 |
SrTiO3 (mp-4651) | <1 0 1> | <1 0 0> | -0.079 | 217.5 |
NdGaO3 (mp-3196) | <1 0 0> | <1 1 0> | -0.060 | 348.6 |
TbScO3 (mp-31119) | <0 1 1> | <1 1 0> | -0.058 | 164.0 |
TiO2 (mp-2657) | <1 0 1> | <1 1 0> | -0.054 | 102.5 |
SiO2 (mp-6930) | <1 1 0> | <1 1 0> | -0.051 | 143.5 |
Bi2Te3 (mp-34202) | <0 0 1> | <1 0 0> | -0.048 | 87.0 |
LiGaO2 (mp-5854) | <1 0 1> | <1 1 0> | -0.041 | 225.5 |
BN (mp-984) | <1 0 0> | <1 0 0> | -0.039 | 58.0 |
CdWO4 (mp-19387) | <0 1 0> | <1 0 0> | -0.035 | 130.5 |
NdGaO3 (mp-3196) | <0 0 1> | <1 1 0> | -0.035 | 61.5 |
CsI (mp-614603) | <1 1 1> | <1 0 0> | -0.030 | 217.5 |
Au (mp-81) | <1 1 1> | <1 0 0> | -0.013 | 362.5 |
BN (mp-984) | <0 0 1> | <1 1 0> | -0.013 | 82.0 |
AlN (mp-661) | <1 1 0> | <1 1 0> | -0.008 | 82.0 |
Te2Mo (mp-602) | <1 0 0> | <1 1 0> | -0.006 | 164.0 |
LaAlO3 (mp-2920) | <1 0 0> | <1 1 0> | -0.004 | 143.5 |
GaSe (mp-1943) | <1 0 1> | <1 0 0> | -0.001 | 275.5 |
GaSe (mp-1943) | <1 0 0> | <1 0 0> | -0.000 | 203.0 |
Al (mp-134) | <1 0 0> | <1 0 0> | 0.000 | 130.5 |
Al (mp-134) | <1 1 0> | <1 1 0> | 0.000 | 184.5 |
MgO (mp-1265) | <1 0 0> | <1 0 0> | 0.000 | 72.5 |
GaSb (mp-1156) | <1 1 0> | <1 1 0> | 0.000 | 164.0 |
TiO2 (mp-390) | <0 0 1> | <1 0 0> | 0.000 | 14.5 |
GaSe (mp-1943) | <0 0 1> | <1 0 0> | 0.001 | 101.5 |
CdSe (mp-2691) | <1 1 0> | <1 1 0> | 0.001 | 164.0 |
ZnO (mp-2133) | <1 0 1> | <1 0 0> | 0.001 | 217.5 |
Ag (mp-124) | <1 1 1> | <1 0 0> | 0.002 | 362.5 |
BaTiO3 (mp-5986) | <1 1 1> | <1 1 0> | 0.002 | 348.6 |
C (mp-48) | <0 0 1> | <1 1 1> | 0.003 | 100.4 |
PbSe (mp-2201) | <1 1 0> | <1 1 0> | 0.003 | 164.0 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 0.005 | 130.5 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 0.006 | 184.5 |
Fe3O4 (mp-19306) | <1 0 0> | <1 0 0> | 0.007 | 72.5 |
TeO2 (mp-2125) | <0 0 1> | <1 0 0> | 0.008 | 130.5 |
TbScO3 (mp-31119) | <1 0 0> | <1 1 0> | 0.009 | 184.5 |
SiC (mp-7631) | <1 1 1> | <1 0 0> | 0.009 | 246.5 |
DyScO3 (mp-31120) | <1 0 0> | <1 1 0> | 0.011 | 184.5 |
Stiffness Tensor Cij (GPa) |
|||||
---|---|---|---|---|---|
32 | 51 | 51 | 0 | 0 | 0 |
51 | 32 | 51 | 0 | 0 | 0 |
51 | 51 | 32 | 0 | 0 | 0 |
0 | 0 | 0 | 13 | 0 | 0 |
0 | 0 | 0 | 0 | 13 | 0 |
0 | 0 | 0 | 0 | 0 | 13 |
Compliance Tensor Sij (10-12Pa-1) |
|||||
---|---|---|---|---|---|
-33.2 | 20.3 | 20.3 | 0 | 0 | 0 |
20.3 | -33.2 | 20.3 | 0 | 0 | 0 |
20.3 | 20.3 | -33.2 | 0 | 0 | 0 |
0 | 0 | 0 | 74.1 | 0 | 0 |
0 | 0 | 0 | 0 | 74.1 | 0 |
0 | 0 | 0 | 0 | 0 | 74.1 |
Shear Modulus GV4 GPa |
Bulk Modulus KV45 GPa |
Shear Modulus GR593 GPa |
Bulk Modulus KR45 GPa |
Shear Modulus GVRH299 GPa |
Bulk Modulus KVRH45 GPa |
Elastic Anisotropy-4.96 |
Poisson's Ratio-0.53 |
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
HoTmZn2 (mp-983126) | 0.0000 | 0.000 | 3 |
Pm2PtAu (mp-982772) | 0.0000 | 0.000 | 3 |
Nd2IrAu (mp-973606) | 0.0000 | 0.063 | 3 |
YbPrPd2 (mp-981530) | 0.0000 | 0.007 | 3 |
YTmAl2 (mp-980662) | 0.0000 | 0.016 | 3 |
TiFeCoSb (mp-998973) | 0.0000 | 0.186 | 4 |
TiAlFeCo (mp-998980) | 0.0000 | 0.000 | 4 |
TiFeCoGe (mp-1018012) | 0.0000 | 0.028 | 4 |
VFeCoSi (mp-1066609) | 0.0000 | 0.002 | 4 |
VFeCoSb (mp-1066862) | 0.0000 | 0.164 | 4 |
ErPd (mp-851) | 0.0000 | 0.000 | 2 |
YbRu (mp-567116) | 0.0000 | 0.228 | 2 |
PrIn (mp-20023) | 0.0000 | 0.000 | 2 |
ReC (mp-1009731) | 0.0000 | 1.115 | 2 |
ScCu (mp-1169) | 0.0000 | 0.000 | 2 |
Cu (mp-998890) | 0.0000 | 0.037 | 1 |
Kr (mp-974400) | 0.0000 | 0.002 | 1 |
H2 (mp-632250) | 0.0000 | 0.000 | 1 |
Ge (mp-998883) | 0.0000 | 0.340 | 1 |
U (mp-108) | 0.0000 | 0.271 | 1 |
Explore more synthesis descriptions for materials of composition InSb.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: In_d Sb |
Final Energy/Atom-3.3275 eV |
Corrected Energy-6.6550 eV
-6.6550 eV = -6.6550 eV (uncorrected energy)
|
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)