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-0.019 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.120 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. |
Density2.20 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToMg2Si + Si |
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 MauguinP1 [2] |
Hall-P 1 |
Point Group1 |
Crystal Systemtriclinic |
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 |
---|---|---|---|
NdAlPt (mp-568130) | 0.5686 | 0.000 | 3 |
Tb2Ni2Sn (mp-1068217) | 0.4747 | 0.000 | 3 |
Pr2Ni2Sn (mp-1068489) | 0.5350 | 0.000 | 3 |
Y2Ni2Sn (mp-1068331) | 0.4964 | 0.003 | 3 |
Ce2Ni2Sn (mp-22713) | 0.4512 | 0.000 | 3 |
KNa4SnSb3 (mp-6758) | 0.6563 | 0.005 | 4 |
SrH2 (mp-23714) | 0.6505 | 0.000 | 2 |
Mg3Si2 (mp-1075793) | 0.5670 | 0.149 | 2 |
Cs2Se (mp-1011709) | 0.6365 | 0.020 | 2 |
Na5As4 (mp-1080834) | 0.6433 | 0.002 | 2 |
BaH2 (mp-23715) | 0.6502 | 0.000 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Mg_pv Si |
Final Energy/Atom-3.1469 eV |
Corrected Energy-15.5925 eV
Uncorrected energy = -15.7345 eV
Composition-based energy adjustment (0.071 eV/atom x 2.0 atoms) = 0.1420 eV
Corrected energy = -15.5925 eV
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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)