Final Magnetic Moment13.999 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFM |
Formation Energy / Atom-3.275 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.081 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. |
Density6.72 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToEuAl2O4 + EuO |
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 MauguinP4/mmm [123] |
Hall-P 4 2 |
Point Group4/mmm |
Crystal Systemtetragonal |
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] |
---|---|---|---|
AlN (mp-661) | <0 0 1> | <0 0 1> | 42.8 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 156.9 |
AlN (mp-661) | <1 0 1> | <1 0 1> | 160.0 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 81.0 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 28.5 |
CeO2 (mp-20194) | <1 1 0> | <1 1 0> | 40.5 |
CeO2 (mp-20194) | <1 1 1> | <1 0 0> | 200.5 |
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 128.4 |
LaAlO3 (mp-2920) | <1 0 0> | <1 1 0> | 283.5 |
LaAlO3 (mp-2920) | <1 1 0> | <1 1 0> | 121.5 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 356.5 |
AlN (mp-661) | <1 1 1> | <0 0 1> | 271.0 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 213.9 |
GaN (mp-804) | <1 1 1> | <0 0 1> | 285.2 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 128.4 |
GaAs (mp-2534) | <1 1 0> | <1 0 1> | 319.9 |
SiO2 (mp-6930) | <0 0 1> | <1 1 0> | 324.0 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 185.4 |
BaF2 (mp-1029) | <1 1 0> | <1 1 0> | 162.0 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 156.9 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 85.6 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 121.5 |
DyScO3 (mp-31120) | <0 0 1> | <1 1 0> | 121.5 |
DyScO3 (mp-31120) | <1 0 1> | <0 0 1> | 213.9 |
DyScO3 (mp-31120) | <1 1 0> | <0 0 1> | 128.4 |
DyScO3 (mp-31120) | <1 1 1> | <0 0 1> | 271.0 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 313.8 |
SiO2 (mp-6930) | <1 1 0> | <1 0 1> | 96.0 |
SiO2 (mp-6930) | <1 1 1> | <1 1 0> | 162.0 |
KCl (mp-23193) | <1 0 0> | <1 0 1> | 287.9 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 121.5 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 162.0 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 128.4 |
ZnSe (mp-1190) | <1 1 0> | <1 0 1> | 319.9 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 128.4 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 356.5 |
DyScO3 (mp-31120) | <0 1 1> | <1 1 0> | 162.0 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 1> | 319.9 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 185.4 |
InAs (mp-20305) | <1 1 1> | <1 1 0> | 324.0 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 213.9 |
CdS (mp-672) | <1 0 1> | <1 0 0> | 257.7 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 128.4 |
LiF (mp-1138) | <1 1 0> | <0 0 1> | 313.8 |
KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 242.5 |
CdS (mp-672) | <1 0 0> | <1 0 1> | 287.9 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 199.7 |
Te2W (mp-22693) | <0 1 0> | <1 1 0> | 162.0 |
Te2W (mp-22693) | <1 0 0> | <0 0 1> | 285.2 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 256.7 |
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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
Ba2Ga2O5 (mp-862682) | 0.2181 | 0.176 | 3 |
Rb2Bi2O5 (mp-975106) | 0.1710 | 0.003 | 3 |
Ba2Sc2O5 (mp-863021) | 0.1607 | 0.027 | 3 |
K2Pu2O5 (mp-862794) | 0.2044 | 0.000 | 3 |
K2U2O5 (mp-867366) | 0.1733 | 0.101 | 3 |
BaEuFe2O5 (mp-656144) | 0.5106 | 0.000 | 4 |
BaEuFe2O5 (mp-639347) | 0.6370 | 0.014 | 4 |
BaNdFe2O5 (mp-638374) | 0.6124 | 0.007 | 4 |
BaGdFe2O5 (mp-1078934) | 0.6808 | 0.026 | 4 |
BaErMn2O5 (mp-1084801) | 0.6619 | 0.344 | 4 |
BaYCuNiO5 (mvc-7677) | 0.7496 | 0.072 | 5 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu Al O |
Final Energy/Atom-8.7536 eV |
Corrected Energy-82.2941 eV
-82.2941 eV = -78.7826 eV (uncorrected energy) - 3.5114 eV (MP Anion Correction)
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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)