Final Magnetic Moment7.504 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 / Atom0.085 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.085 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. |
Density5.06 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToEu |
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 MauguinIm3m [229] |
Hall-I 4 2 3 |
Point Groupm3m |
Crystal Systemcubic |
Topological ClassificationSM*
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SubclassificationESFD†
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Crossing TypePoint
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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 0> | 121.7 |
LaAlO3 (mp-2920) | <1 1 0> | <1 1 0> | 121.7 |
LaAlO3 (mp-2920) | <1 1 1> | <1 1 0> | 121.7 |
AlN (mp-661) | <0 0 1> | <1 1 1> | 111.8 |
AlN (mp-661) | <1 0 1> | <1 1 1> | 260.9 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 279.8 |
CeO2 (mp-20194) | <1 1 1> | <1 1 1> | 149.1 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 193.7 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 107.6 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 334.8 |
SiO2 (mp-6930) | <0 0 1> | <1 1 1> | 149.1 |
SiO2 (mp-6930) | <1 1 0> | <1 0 0> | 236.7 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 43.0 |
DyScO3 (mp-31120) | <1 0 0> | <1 1 0> | 91.3 |
InAs (mp-20305) | <1 1 1> | <1 1 1> | 260.9 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 172.2 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 91.3 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 91.3 |
CdS (mp-672) | <1 1 1> | <1 1 0> | 213.0 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 86.1 |
LiF (mp-1138) | <1 1 0> | <1 1 0> | 91.3 |
LiF (mp-1138) | <1 1 1> | <1 1 1> | 111.8 |
Te2W (mp-22693) | <0 0 1> | <1 1 0> | 243.5 |
YVO4 (mp-19133) | <1 0 0> | <1 1 0> | 243.5 |
YVO4 (mp-19133) | <1 1 0> | <1 1 0> | 273.9 |
Te2Mo (mp-602) | <0 0 1> | <1 1 0> | 213.0 |
Te2Mo (mp-602) | <1 0 1> | <1 1 0> | 213.0 |
Ag (mp-124) | <1 0 0> | <1 0 0> | 86.1 |
Ag (mp-124) | <1 1 0> | <1 1 0> | 273.9 |
Ag (mp-124) | <1 1 1> | <1 1 1> | 260.9 |
GaSe (mp-1943) | <0 0 1> | <1 1 1> | 37.3 |
BN (mp-984) | <0 0 1> | <1 1 1> | 149.1 |
BN (mp-984) | <1 0 0> | <1 1 0> | 334.8 |
BN (mp-984) | <1 0 1> | <1 0 0> | 344.3 |
BN (mp-984) | <1 1 0> | <1 1 1> | 260.9 |
BN (mp-984) | <1 1 1> | <1 0 0> | 279.8 |
MoS2 (mp-1434) | <0 0 1> | <1 0 0> | 107.6 |
Al (mp-134) | <1 0 0> | <1 0 0> | 86.1 |
Al (mp-134) | <1 1 0> | <1 1 0> | 91.3 |
Al (mp-134) | <1 1 1> | <1 1 1> | 111.8 |
LiGaO2 (mp-5854) | <0 1 0> | <1 0 0> | 172.2 |
LiGaO2 (mp-5854) | <1 0 0> | <1 1 0> | 182.6 |
LiGaO2 (mp-5854) | <1 1 0> | <1 1 1> | 149.1 |
LiGaO2 (mp-5854) | <1 1 1> | <1 1 0> | 334.8 |
CdTe (mp-406) | <1 0 0> | <1 0 0> | 43.0 |
CdTe (mp-406) | <1 1 0> | <1 1 0> | 60.9 |
AlN (mp-661) | <1 0 0> | <1 1 0> | 273.9 |
AlN (mp-661) | <1 1 0> | <1 1 0> | 243.5 |
CeO2 (mp-20194) | <1 1 0> | <1 1 0> | 121.7 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 172.2 |
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 |
---|---|---|---|
UInAu2 (mp-20358) | 0.0000 | 0.000 | 3 |
Li2AgPb (mp-30349) | 0.0000 | 0.000 | 3 |
ErInAu2 (mp-30376) | 0.0000 | 0.000 | 3 |
Li2AlPt (mp-30818) | 0.0000 | 0.000 | 3 |
LiGa2Rh (mp-4913) | 0.0000 | 0.000 | 3 |
LiMgSnPd (mp-7555) | 0.0000 | 0.000 | 4 |
VFeCoGe (mp-1063914) | 0.0000 | 0.000 | 4 |
TiFeCoGe (mp-1018012) | 0.0000 | 0.028 | 4 |
LiMgSbPd (mp-10179) | 0.0000 | 0.096 | 4 |
LiMgSnPt (mp-11806) | 0.0000 | 0.000 | 4 |
Li3Bi (mp-23222) | 0.0000 | 0.000 | 2 |
Sr3In (mp-31349) | 0.0000 | 0.131 | 2 |
Fe3Ge (mp-20711) | 0.0000 | 0.000 | 2 |
GdMg3 (mp-20534) | 0.0000 | 0.042 | 2 |
Li3Sb (mp-2074) | 0.0000 | 0.000 | 2 |
Ba (mp-122) | 0.0000 | 0.000 | 1 |
Ce (mp-10024) | 0.0000 | 0.228 | 1 |
Lu (mp-10190) | 0.0000 | 0.132 | 1 |
Np (mp-10207) | 0.0000 | 0.447 | 1 |
Na (mp-127) | 0.0000 | 0.002 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu |
Final Energy/Atom-10.2070 eV |
Corrected Energy-10.2070 eV
Uncorrected energy = -10.2070 eV
Corrected energy = -10.2070 eV
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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)