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 / Atom0.065 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.221 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. |
Density2.09 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToMg2Si |
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 [1] |
HallP 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 |
---|---|---|---|
Sc3(Ga3Fe)2 (mp-30701) | 0.6224 | 0.045 | 3 |
Ce2(SbPd3)3 (mp-18287) | 0.6355 | 0.002 | 3 |
BaYbSn3 (mp-571479) | 0.5908 | 0.000 | 3 |
Cs5(KPb6)3 (mp-581775) | 0.6085 | 0.006 | 3 |
BaCaSn3 (mp-583645) | 0.5800 | 0.000 | 3 |
Mg4Si3 (mp-1074546) | 0.4578 | 0.255 | 2 |
Mg2Si (mp-1074645) | 0.4233 | 0.173 | 2 |
Mg2Si (mp-1074770) | 0.4067 | 0.241 | 2 |
Mg5Si6 (mp-1075500) | 0.4492 | 0.215 | 2 |
Mg7Si4 (mp-1074855) | 0.4346 | 0.208 | 2 |
Rb (mp-656615) | 0.7246 | 0.023 | 1 |
Nb (mp-1094120) | 0.7366 | 0.190 | 1 |
Explore more synthesis descriptions for materials of composition Mg2Si.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Mg_pv Si |
Final Energy/Atom-2.8070 eV |
Corrected Energy-33.4001 eV
Uncorrected energy = -33.6841 eV
Composition-based energy adjustment (0.071 eV/atom x 4.0 atoms) = 0.2840 eV
Corrected energy = -33.4001 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)