Final Magnetic Moment6.952 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFM |
Formation Energy / Atom-0.490 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.000 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. |
Density11.02 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToStable |
Band Gap0.141 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 MauguinI42m [121] |
HallI 4 2 |
Point Group42m |
Crystal Systemtetragonal |
Topological ClassificationSM*
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SubclassificationESFD†
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Crossing TypePoint
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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 |
---|---|---|---|
Sr3(SnIr)4 (mp-22418) | 0.6237 | 0.000 | 3 |
Eu3(GaNi)4 (mp-636287) | 0.5845 | 0.000 | 3 |
Ca3(GaNi)4 (mp-11285) | 0.6055 | 0.000 | 3 |
Sm(Sn3Ru2)2 (mp-20208) | 0.6455 | 0.000 | 3 |
Sr3(GaIr)4 (mp-1095369) | 0.6408 | 0.000 | 3 |
EuGa2 (mp-917274) | 0.6668 | 0.000 | 2 |
BaIn2 (mp-22141) | 0.6918 | 0.000 | 2 |
NaSi (mp-2402) | 0.6500 | 0.000 | 2 |
SrAl2 (mp-22318) | 0.6832 | 0.001 | 2 |
SrZn2 (mp-569426) | 0.6495 | 0.000 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu In_d Ge_d Ir |
Final Energy/Atom-6.8195 eV |
Corrected Energy-75.0140 eV
Uncorrected energy = -75.0140 eV
Corrected energy = -75.0140 eV
|
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)