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-0.312 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.009 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. |
Density6.25 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToTb2MgNi2 + Tb2Mg3Ni2 |
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 |
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 |
---|---|---|---|
LiEu2Ge3 (mp-637249) | 0.5450 | 0.007 | 3 |
ZrVP (mp-22302) | 0.5398 | 0.000 | 3 |
YbFeGe (mp-628705) | 0.5488 | 0.205 | 3 |
Zr2Nb3Ge4 (mp-540755) | 0.4879 | 0.082 | 3 |
HfVP (mp-1095442) | 0.5329 | 0.000 | 3 |
LiYb2InGe2 (mp-977355) | 0.7485 | 0.000 | 4 |
SrCa2In2Ge (mp-619206) | 0.6790 | 0.106 | 4 |
Nb5Ge4 (mp-21681) | 0.5297 | 0.091 | 2 |
K4Sn9 (mp-570900) | 0.5465 | 0.000 | 2 |
Mg2Si3 (mp-1073201) | 0.5058 | 0.252 | 2 |
MgSi (mp-1073735) | 0.5400 | 0.203 | 2 |
MgSi (mp-1073754) | 0.5255 | 0.157 | 2 |
Rb (mp-640416) | 0.6564 | 0.057 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Tb_3 Mg_pv Ni_pv |
Final Energy/Atom-4.3155 eV |
Corrected Energy-25.8929 eV
Uncorrected energy = -25.8929 eV
Corrected energy = -25.8929 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)