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-0.809 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. |
Density7.41 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 MauguinCmcm [63] |
Hall-C 2c 2 |
Point Groupmmm |
Crystal Systemorthorhombic |
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 |
---|---|---|---|
HoGa2Pd (mp-982511) | 0.0322 | 0.000 | 3 |
TbGa2Pd (mp-972423) | 0.0597 | 0.000 | 3 |
ErGa2Pd (mp-1079745) | 0.0322 | 0.000 | 3 |
LuGa2Pd (mp-1079942) | 0.0648 | 0.000 | 3 |
DyGa2Pd (mp-1092296) | 0.0421 | 0.000 | 3 |
SrCa2In2Ge (mp-619206) | 0.6986 | 0.106 | 4 |
CeZn3 (mp-640118) | 0.4333 | 0.001 | 2 |
MgSi (mp-1073754) | 0.6457 | 0.157 | 2 |
MgSi (mp-1073850) | 0.6356 | 0.177 | 2 |
MgBi2 (mp-1038896) | 0.6182 | 0.093 | 2 |
Mg3Si2 (mp-1075851) | 0.6476 | 0.197 | 2 |
Rb (mp-656615) | 0.6952 | 0.023 | 1 |
Rb (mp-640416) | 0.7072 | 0.057 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Y_sv Ga_d Pd |
Final Energy/Atom-5.2337 eV |
Corrected Energy-41.8693 eV
Uncorrected energy = -41.8693 eV
Corrected energy = -41.8693 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)