Final Magnetic Moment-6.019 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingUnknown |
Formation Energy / Atom-0.466 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.013 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. |
Density10.14 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToEuB2Rh3 + EuRh2 + Rh |
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 MauguinPm3m [221] |
Hall-P 4 2 3 |
Point Groupm3m |
Crystal Systemcubic |
sign indicates spin ↑ ↓
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%)
Select an element to display a spectrum averaged over all sites of that element in the structure.
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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <1 1 1> | 219.9 |
LaAlO3 (mp-2920) | <1 0 1> | <1 1 1> | 219.9 |
AlN (mp-661) | <0 0 1> | <1 0 0> | 181.4 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 108.8 |
AlN (mp-661) | <1 0 1> | <1 1 1> | 125.6 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 307.8 |
AlN (mp-661) | <1 1 1> | <1 1 0> | 205.2 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 145.1 |
CeO2 (mp-20194) | <1 1 1> | <1 1 1> | 219.9 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 163.2 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 282.1 |
GaAs (mp-2534) | <1 1 1> | <1 1 1> | 219.9 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 163.2 |
BaF2 (mp-1029) | <1 1 0> | <1 1 0> | 230.8 |
BaF2 (mp-1029) | <1 1 1> | <1 1 1> | 282.7 |
GaN (mp-804) | <0 0 1> | <1 1 0> | 179.5 |
GaN (mp-804) | <1 0 0> | <1 1 0> | 179.5 |
GaN (mp-804) | <1 0 1> | <1 1 0> | 128.2 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 230.8 |
GaN (mp-804) | <1 1 1> | <1 1 0> | 153.9 |
SiO2 (mp-6930) | <0 0 1> | <1 0 0> | 108.8 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 307.8 |
SiO2 (mp-6930) | <1 0 1> | <1 1 0> | 102.6 |
SiO2 (mp-6930) | <1 1 0> | <1 0 0> | 145.1 |
SiO2 (mp-6930) | <1 1 1> | <1 0 0> | 253.9 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 163.2 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 230.8 |
KCl (mp-23193) | <1 1 1> | <1 1 1> | 219.9 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 308.3 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 308.3 |
InAs (mp-20305) | <1 0 0> | <1 0 0> | 36.3 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 51.3 |
InAs (mp-20305) | <1 1 1> | <1 0 0> | 326.4 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 163.2 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 282.1 |
ZnSe (mp-1190) | <1 1 1> | <1 1 1> | 219.9 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 145.1 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 205.2 |
CdS (mp-672) | <0 0 1> | <1 0 0> | 90.7 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 145.1 |
CdS (mp-672) | <1 0 1> | <1 1 0> | 128.2 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 145.1 |
LiF (mp-1138) | <1 1 0> | <1 1 0> | 205.2 |
LiF (mp-1138) | <1 1 1> | <1 0 0> | 326.4 |
TeO2 (mp-2125) | <0 0 1> | <1 0 0> | 290.2 |
TeO2 (mp-2125) | <0 1 0> | <1 1 0> | 205.2 |
TeO2 (mp-2125) | <1 0 0> | <1 1 0> | 205.2 |
TeO2 (mp-2125) | <1 1 0> | <1 0 0> | 290.2 |
SiC (mp-7631) | <0 0 1> | <1 0 0> | 163.2 |
SiC (mp-7631) | <1 0 0> | <1 0 0> | 90.7 |
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 |
---|---|---|---|
Ba2ScSbO6 (mp-20709) | 0.0000 | 2.196 | 4 |
Sr2GaSbO6 (mp-6065) | 0.0003 | 0.039 | 4 |
YbBa2SbO6 (mp-14223) | 0.0000 | 1.748 | 4 |
Ba2YSbO6 (mp-14226) | 0.0000 | 2.084 | 4 |
Cs2LiYCl6 (mp-567652) | 0.0001 | 0.000 | 4 |
Mn4N (mp-505622) | 0.0000 | 0.000 | 2 |
Fe4N (mp-535) | 0.0000 | 0.019 | 2 |
Sr3N2 (mp-1013529) | 0.0000 | 0.557 | 2 |
Ba3Sb2 (mp-1013582) | 0.0000 | 0.415 | 2 |
Ba3P2 (mp-1013551) | 0.0000 | 0.447 | 2 |
HgIrO3 (mp-1016831) | 0.0000 | 0.405 | 3 |
AlCo3C (mp-10037) | 0.0000 | 0.020 | 3 |
Ce3AlN (mp-10881) | 0.0000 | 0.000 | 3 |
Sm3InC (mp-20229) | 0.0000 | 1.846 | 3 |
YBRh3 (mp-29725) | 0.0000 | 0.000 | 3 |
SrLaNbZnO6 (mp-41918) | 0.0385 | 0.126 | 5 |
BaLaMgBiO6 (mp-41414) | 0.0288 | 0.069 | 5 |
BaCaLaBiO6 (mp-39886) | 0.0711 | 0.125 | 5 |
BaLaTaZnO6 (mp-42054) | 0.0630 | 0.112 | 5 |
BaLaMgTaO6 (mp-40251) | 0.0443 | 0.079 | 5 |
Ba3LaZnReWO12 (mp-705508) | 0.6831 | 0.059 | 6 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-points10 |
U Values-- |
PseudopotentialsVASP PAW: B Eu Rh_pv |
Final Energy/Atom-8.2733 eV |
Corrected Energy-41.3664 eV
-41.3664 eV = -41.3664 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)