Final Magnetic Moment6.986 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-0.619 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.008 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. |
Density6.41 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToEuAs3 |
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 |
Topological ClassificationTI*
|
SubclassificationNLC†
|
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 |
---|---|---|---|
Ta3SeI7 (mp-29116) | 0.6656 | 0.007 | 3 |
Ta3TeI7 (mp-29117) | 0.6591 | 0.006 | 3 |
PbIBr (mp-571465) | 0.5519 | 0.037 | 3 |
Nb3TeI7 (mp-567713) | 0.6794 | 0.002 | 3 |
Nb3TeI7 (mp-29689) | 0.6627 | 0.000 | 3 |
TmP5 (mp-9852) | 0.6140 | 0.016 | 2 |
CaP3 (mp-9122) | 0.3645 | 0.000 | 2 |
LuP5 (mp-9853) | 0.6083 | 0.024 | 2 |
CaAs3 (mp-1900) | 0.2282 | 0.000 | 2 |
SrAs3 (mp-1079945) | 0.2019 | 0.005 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu As |
Final Energy/Atom-6.6860 eV |
Corrected Energy-53.4883 eV
-53.4883 eV = -53.4883 eV (uncorrected energy)
|
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)