Final Magnetic Moment0.003 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-0.049 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.116 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. |
Density2.90 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToMg149Sb + Mg3Sb2 |
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 MauguinR32 [155] |
HallR 3 2" |
Point Group32 |
Crystal Systemtrigonal |
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%)
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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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
Cr8Ni50Mo15W2 (mp-767372) | 0.2674 | 0.028 | 4 |
CrFeCoNi (mp-1012640) | 0.2176 | 0.065 | 4 |
CrFeCoNi (mp-1096923) | 0.4123 | 0.193 | 4 |
Pm3I (mp-976867) | 0.0044 | 0.351 | 2 |
LiRh (mp-600561) | 0.0027 | 0.000 | 2 |
MgAl (mp-1039019) | 0.0019 | 0.064 | 2 |
Re3W (mp-974408) | 0.0048 | 0.130 | 2 |
Li2Mg (mp-1094576) | 0.0050 | 0.014 | 2 |
In (mp-973111) | 0.0027 | 0.048 | 1 |
He (mp-23156) | 0.0021 | 0.002 | 1 |
N2 (mp-12103) | 0.0021 | 0.000 | 1 |
Ag (mp-10597) | 0.0041 | 0.008 | 1 |
H2 (mp-23907) | 0.0028 | 0.000 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Mg_pv Sb |
Final Energy/Atom-2.0704 eV |
Corrected Energy-12.4223 eV
-12.4223 eV = -12.4223 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)