Final Magnetic Moment-6.491 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFerri |
Formation Energy / Atom0.696 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.696 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. |
Density10.12 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToEu + Re |
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 MauguinFm3m [225] |
Hall-F 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.
Apply Gaussian smoothing:
Download spectra for every symmetrically equivalent absorption site in the structure.
Download FEFF Input parameters.
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <1 0 1> | <1 1 1> | 292.0 |
LaAlO3 (mp-2920) | <1 1 0> | <1 1 0> | 238.4 |
AlN (mp-661) | <0 0 1> | <1 0 0> | 168.6 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 281.0 |
GaAs (mp-2534) | <1 1 0> | <1 0 0> | 281.0 |
BaF2 (mp-1029) | <1 1 0> | <1 1 0> | 158.9 |
SiO2 (mp-6930) | <1 1 0> | <1 0 0> | 337.2 |
SiO2 (mp-6930) | <1 1 1> | <1 1 0> | 158.9 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 238.4 |
KCl (mp-23193) | <1 1 1> | <1 1 1> | 292.0 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 168.6 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 158.9 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 281.0 |
InP (mp-20351) | <1 1 0> | <1 1 0> | 158.9 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 224.8 |
TePb (mp-19717) | <1 1 0> | <1 1 0> | 238.4 |
TePb (mp-19717) | <1 1 1> | <1 1 1> | 292.0 |
Te2Mo (mp-602) | <1 0 0> | <1 1 0> | 158.9 |
Ni (mp-23) | <1 0 0> | <1 0 0> | 112.4 |
Bi2Te3 (mp-34202) | <0 0 1> | <1 0 0> | 168.6 |
BN (mp-984) | <1 1 0> | <1 0 0> | 224.8 |
LiGaO2 (mp-5854) | <1 0 1> | <1 0 0> | 281.0 |
CdTe (mp-406) | <1 1 0> | <1 1 0> | 238.4 |
LiTaO3 (mp-3666) | <1 0 0> | <1 1 1> | 292.0 |
Ge3(BiO3)4 (mp-23560) | <1 1 0> | <1 1 0> | 158.9 |
KP(HO2)2 (mp-23959) | <0 0 1> | <1 0 0> | 224.8 |
KP(HO2)2 (mp-23959) | <0 1 0> | <1 0 0> | 224.8 |
PbSe (mp-2201) | <1 1 0> | <1 1 0> | 158.9 |
PbS (mp-21276) | <1 1 0> | <1 1 0> | 158.9 |
LiNbO3 (mp-3731) | <0 0 1> | <1 0 0> | 281.0 |
LiNbO3 (mp-3731) | <1 0 0> | <1 1 1> | 292.0 |
LaF3 (mp-905) | <1 0 0> | <1 1 0> | 158.9 |
LiAlO2 (mp-3427) | <0 0 1> | <1 0 0> | 56.2 |
NdGaO3 (mp-3196) | <0 0 1> | <1 0 0> | 281.0 |
MoSe2 (mp-1634) | <0 0 1> | <1 0 0> | 337.2 |
Ga2O3 (mp-886) | <1 0 1> | <1 0 0> | 224.8 |
Si (mp-149) | <1 0 0> | <1 0 0> | 281.0 |
Au (mp-81) | <1 0 0> | <1 0 0> | 224.8 |
ZrO2 (mp-2858) | <0 0 1> | <1 0 0> | 56.2 |
ZrO2 (mp-2858) | <1 1 -1> | <1 0 0> | 224.8 |
Ge(Bi3O5)4 (mp-23352) | <1 0 0> | <1 0 0> | 112.4 |
CaCO3 (mp-3953) | <0 0 1> | <1 1 1> | 292.0 |
YAlO3 (mp-3792) | <0 1 1> | <1 1 1> | 97.3 |
YAlO3 (mp-3792) | <1 0 1> | <1 0 0> | 281.0 |
YAlO3 (mp-3792) | <1 1 0> | <1 0 0> | 56.2 |
SiC (mp-8062) | <1 1 0> | <1 1 0> | 79.5 |
Ag (mp-124) | <1 0 0> | <1 0 0> | 224.8 |
TiO2 (mp-390) | <1 0 1> | <1 1 0> | 79.5 |
MgF2 (mp-1249) | <1 1 0> | <1 0 0> | 224.8 |
ZnO (mp-2133) | <1 0 0> | <1 0 0> | 281.0 |
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.
Once you have registered you can also "vote" for full calculation of this material's elastic properties.
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
LiMgSnPd (mp-7555) | 0.0000 | 0.000 | 4 |
LiMgSbPt (mp-571584) | 0.0000 | 0.080 | 4 |
TiFeCoAs (mp-998974) | 0.0000 | 0.134 | 4 |
LiMgSbPd (mp-10179) | 0.0000 | 0.066 | 4 |
MnGaFeCo (mp-999552) | 0.0000 | 0.045 | 4 |
Si3Ge (mp-972751) | 0.0000 | 0.539 | 2 |
Li3Ag (mp-865875) | 0.0000 | 0.003 | 2 |
ZnSb3 (mp-971763) | 0.0000 | 0.281 | 2 |
ScZn3 (mp-973143) | 0.0000 | 0.017 | 2 |
Rb3Co (mp-975050) | 0.0000 | 0.876 | 2 |
Ca2TlCd (mp-867849) | 0.0000 | 0.000 | 3 |
Pm2ZnAg (mp-982393) | 0.0000 | 0.000 | 3 |
YbSmPt2 (mp-979965) | 0.0000 | 0.000 | 3 |
Yb2HgBi (mp-972046) | 0.0000 | 0.012 | 3 |
MnGaPt2 (mp-864948) | 0.0000 | 0.010 | 3 |
Be (mp-20) | 0.0000 | 0.083 | 1 |
Nb (mp-75) | 0.0000 | 0.000 | 1 |
Bi (mp-568610) | 0.0000 | 0.137 | 1 |
Br (mp-673171) | 0.0000 | 0.616 | 1 |
I (mp-684663) | 0.0000 | 0.455 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-points28 |
U Values-- |
PseudopotentialsVASP PAW: Eu Re_pv |
Final Energy/Atom-10.1481 eV |
Corrected Energy-40.5924 eV
-40.5924 eV = -40.5924 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)