Final Magnetic Moment20.506 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFiM |
Formation Energy / Atom0.623 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.623 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 ToRe + Eu |
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 |
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%)
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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.
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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
SmMg2Sc (mp-978528) | 0.0000 | 0.011 | 3 |
CaBiPd2 (mp-977540) | 0.0000 | 0.000 | 3 |
Ba2SbAu (mp-862631) | 0.0000 | 0.000 | 3 |
Tm2ZnOs (mp-865236) | 0.0000 | 0.000 | 3 |
Yb2CdSn (mp-865918) | 0.0000 | 0.000 | 3 |
LiMgSnPd (mp-7555) | 0.0000 | 0.000 | 4 |
LiMgSnAu (mp-7554) | 0.0000 | 0.088 | 4 |
LiMgSbPt (mp-571584) | 0.0000 | 0.086 | 4 |
LiMgSbPd (mp-10179) | 0.0000 | 0.096 | 4 |
LiMgSnPt (mp-11806) | 0.0000 | 0.000 | 4 |
Yb3Re (mp-980049) | 0.0000 | 0.551 | 2 |
Yb3Ru (mp-979937) | 0.0000 | 0.110 | 2 |
V3Cu (mp-979283) | 0.0000 | 0.157 | 2 |
Na3Pu (mp-1006151) | 0.0000 | 0.531 | 2 |
RbBa3 (mp-975397) | 0.0000 | 0.135 | 2 |
Br (mp-673171) | 0.0000 | 0.630 | 1 |
Ti (mp-73) | 0.0000 | 0.112 | 1 |
I (mp-684663) | 0.0000 | 0.469 | 1 |
Cr (mp-90) | 0.0000 | 0.000 | 1 |
Bi (mp-568610) | 0.0000 | 0.136 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu Re_pv |
Final Energy/Atom-10.2072 eV |
Corrected Energy-40.8287 eV
-40.8287 eV = -40.8287 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)