Final Magnetic Moment0.053 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-0.262 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. |
Density8.81 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToStable |
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 MauguinF43m [216] |
HallF 4 2 3 |
Point Group43m |
Crystal Systemcubic |
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 |
---|---|---|---|
TbCu4Ag (mp-1072264) | 0.0059 | 0.000 | 3 |
LaMgNi4 (mp-3289) | 0.0073 | 0.000 | 3 |
UCo4Sn (mp-13018) | 0.0024 | 0.053 | 3 |
PrMgNi4 (mp-13436) | 0.0067 | 0.000 | 3 |
NdCdNi4 (mp-1077379) | 0.0009 | 0.000 | 3 |
DyCu5 (mp-30578) | 0.0087 | 0.004 | 2 |
HoCu5 (mp-580364) | 0.0108 | 0.018 | 2 |
UCu5 (mp-510148) | 0.0033 | 0.102 | 2 |
TbCu5 (mp-1077262) | 0.0079 | 0.016 | 2 |
ZrNi5 (mp-905383) | 0.0116 | 0.001 | 2 |
Co (mp-1072089) | 0.0432 | 0.199 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Pr_3 Cd Ni_pv |
Final Energy/Atom-5.0658 eV |
Corrected Energy-30.3946 eV
-30.3946 eV = -30.3946 eV (uncorrected energy)
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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)