Final Magnetic Moment3.920 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-0.407 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.104 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. |
Density7.25 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToEuP + 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 MauguinP63/mmc [194] |
Hall-P 6c 2c |
Point Group6/mmm |
Crystal Systemhexagonal |
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%)
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 170.2 |
AlN (mp-661) | <0 0 1> | <1 0 0> | 294.1 |
AlN (mp-661) | <1 0 0> | <1 0 1> | 281.1 |
GaAs (mp-2534) | <1 1 0> | <1 0 1> | 281.1 |
GaAs (mp-2534) | <1 1 1> | <0 0 1> | 170.2 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 183.8 |
GaN (mp-804) | <1 0 1> | <1 1 0> | 191.0 |
GaN (mp-804) | <1 1 1> | <0 0 1> | 297.8 |
SiO2 (mp-6930) | <1 0 1> | <1 1 0> | 254.7 |
KCl (mp-23193) | <1 1 0> | <1 1 1> | 229.7 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 1> | 281.1 |
AlN (mp-661) | <1 1 1> | <1 0 0> | 147.0 |
BaF2 (mp-1029) | <1 1 0> | <1 1 1> | 229.7 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 340.4 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 1> | 281.1 |
CdS (mp-672) | <1 0 1> | <1 0 0> | 330.8 |
CdS (mp-672) | <1 1 0> | <0 0 1> | 255.3 |
GaN (mp-804) | <0 0 1> | <1 1 1> | 153.2 |
GaN (mp-804) | <1 1 0> | <1 0 0> | 147.0 |
SiO2 (mp-6930) | <1 1 1> | <0 0 1> | 255.3 |
KCl (mp-23193) | <1 1 1> | <0 0 1> | 297.8 |
LiF (mp-1138) | <1 0 0> | <1 1 0> | 254.7 |
LiF (mp-1138) | <1 1 0> | <1 0 1> | 281.1 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 297.8 |
InAs (mp-20305) | <1 1 0> | <0 0 1> | 212.7 |
ZnSe (mp-1190) | <1 1 0> | <1 0 1> | 281.1 |
ZnSe (mp-1190) | <1 1 1> | <0 0 1> | 170.2 |
Te2Mo (mp-602) | <1 1 0> | <1 1 0> | 191.0 |
Ag (mp-124) | <1 0 0> | <1 1 1> | 153.2 |
Ag (mp-124) | <1 1 0> | <1 0 0> | 73.5 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 297.8 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 147.0 |
CdS (mp-672) | <1 1 1> | <1 1 0> | 318.3 |
BN (mp-984) | <0 0 1> | <0 0 1> | 170.2 |
BN (mp-984) | <1 1 1> | <1 1 1> | 306.3 |
LiNbO3 (mp-3731) | <0 0 1> | <0 0 1> | 170.2 |
Te2W (mp-22693) | <0 1 0> | <1 0 0> | 110.3 |
YVO4 (mp-19133) | <1 0 0> | <1 1 0> | 318.3 |
YVO4 (mp-19133) | <1 1 1> | <1 1 0> | 254.7 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 170.2 |
Al (mp-134) | <1 0 0> | <0 0 1> | 340.4 |
Al (mp-134) | <1 1 0> | <1 0 1> | 281.1 |
TePb (mp-19717) | <1 1 1> | <0 0 1> | 297.8 |
Te2Mo (mp-602) | <0 0 1> | <1 0 0> | 257.3 |
Te2Mo (mp-602) | <1 0 0> | <1 0 0> | 110.3 |
Ag (mp-124) | <1 1 1> | <1 0 0> | 220.6 |
LiGaO2 (mp-5854) | <1 1 1> | <1 1 0> | 318.3 |
CdTe (mp-406) | <1 1 1> | <0 0 1> | 297.8 |
TeO2 (mp-2125) | <1 1 0> | <1 1 0> | 191.0 |
BN (mp-984) | <1 0 1> | <1 0 0> | 294.1 |
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 |
---|---|---|---|
RbMg6Zr (mp-1022554) | 0.2578 | 0.263 | 3 |
SrLaMg6 (mp-1099316) | 0.2943 | 0.168 | 3 |
CrFeCoNi (mp-1012640) | 0.7343 | 0.118 | 4 |
Sm3Si (mp-983479) | 0.0218 | 0.160 | 2 |
La3Ag (mp-978254) | 0.1313 | 0.111 | 2 |
Sm3Au (mp-1005762) | 0.1156 | 0.179 | 2 |
Nd3Si (mp-976593) | 0.1143 | 0.153 | 2 |
La3Al (mp-1084828) | 0.0535 | 0.004 | 2 |
Hg (mp-975272) | 0.6156 | 0.001 | 1 |
Mn (mp-542909) | 0.5725 | 0.055 | 1 |
Hg (mp-569360) | 0.5779 | 0.001 | 1 |
W (mp-1065340) | 0.4164 | 0.491 | 1 |
Cs (mp-1012110) | 0.4912 | 0.046 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu P |
Final Energy/Atom-9.4791 eV |
Corrected Energy-75.8327 eV
-75.8327 eV = -75.8327 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)