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 / Atom0.053 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.159 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. |
Density2.38 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 |
---|---|---|---|
Na3InSb2 (mp-21547) | 0.4945 | 0.000 | 3 |
Na3InP2 (mp-21577) | 0.5033 | 0.000 | 3 |
Na3InAs2 (mp-21622) | 0.4866 | 0.000 | 3 |
Na3InBi2 (mp-580161) | 0.5349 | 0.000 | 3 |
Na5SnSb3 (mp-29739) | 0.5168 | 0.000 | 3 |
K2BaCdSb2 (mp-863761) | 0.4687 | 0.000 | 4 |
K2SrCdSb2 (mp-863758) | 0.4451 | 0.000 | 4 |
Er4In(NiGe2)2 (mp-13508) | 0.5519 | 0.000 | 4 |
Ho4In(NiGe2)2 (mp-13510) | 0.5596 | 0.000 | 4 |
Tm4In(NiGe2)2 (mp-13511) | 0.5489 | 0.000 | 4 |
Mg4Si7 (mp-1074135) | 0.4755 | 0.232 | 2 |
Mg5Si6 (mp-1075481) | 0.4124 | 0.157 | 2 |
Mg5Si6 (mp-1075479) | 0.4429 | 0.161 | 2 |
Mg5Si9 (mp-1075640) | 0.4362 | 0.264 | 2 |
Mg6Si5 (mp-1073950) | 0.3856 | 0.225 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Mg_pv Si |
Final Energy/Atom-3.6308 eV |
Corrected Energy-79.0264 eV
Uncorrected energy = -79.8784 eV
Composition-based energy adjustment (0.071 eV/atom x 12.0 atoms) = 0.8520 eV
Corrected energy = -79.0264 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)