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-0.462 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. |
Density7.47 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToStable |
Band Gap0.151 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 MauguinF43m [216] |
HallF 4 2 3 |
Point Group43m |
Crystal Systemcubic |
Topological Classificationtrivial*
|
SubclassificationLCEBR†
|
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 |
---|---|---|---|
MgCu4Sn (mp-3676) | 0.0020 | 0.000 | 3 |
ZrCu4Ag (mp-1070869) | 0.0005 | 0.000 | 3 |
CeInPt4 (mp-1071478) | 0.0005 | 0.000 | 3 |
MnCu4Sn (mp-1072398) | 0.0022 | 0.058 | 3 |
YbCu4Ag (mp-1077741) | 0.0022 | 0.000 | 3 |
Be5Co (mp-1071690) | 0.0032 | 0.000 | 2 |
ZrCu5 (mp-30603) | 0.0024 | 0.010 | 2 |
Be5Au (mp-1220) | 0.0049 | 0.000 | 2 |
PaPt5 (mp-1077534) | 0.0024 | 0.000 | 2 |
PuPt5 (mp-1080388) | 0.0024 | 0.000 | 2 |
Co (mp-1072089) | 0.0146 | 0.199 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Be_sv Pt |
Final Energy/Atom-4.5896 eV |
Corrected Energy-27.5378 eV
Uncorrected energy = -27.5378 eV
Corrected energy = -27.5378 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)