Final Magnetic Moment7.072 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-0.267 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.001 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. |
Density7.98 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToEuCd2 + EuCd11 |
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%)
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
AlN (mp-661) | <1 1 1> | <1 1 0> | 233.0 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 274.6 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 274.6 |
BaF2 (mp-1029) | <1 1 0> | <1 1 0> | 233.0 |
BaF2 (mp-1029) | <1 1 1> | <1 1 1> | 285.3 |
GaN (mp-804) | <0 0 1> | <1 1 0> | 310.6 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 164.7 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 233.0 |
SiO2 (mp-6930) | <0 0 1> | <1 1 1> | 285.3 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 310.6 |
SiO2 (mp-6930) | <1 0 1> | <1 1 0> | 310.6 |
SiO2 (mp-6930) | <1 1 1> | <1 1 0> | 155.3 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 233.0 |
KCl (mp-23193) | <1 1 1> | <1 1 1> | 285.3 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 155.3 |
InAs (mp-20305) | <1 1 1> | <1 0 0> | 329.5 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 274.6 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 274.6 |
CdS (mp-672) | <0 0 1> | <1 0 0> | 274.6 |
CdS (mp-672) | <1 1 0> | <1 1 0> | 155.3 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 219.7 |
Te2W (mp-22693) | <1 1 0> | <1 1 0> | 233.0 |
YVO4 (mp-19133) | <0 0 1> | <1 0 0> | 54.9 |
YVO4 (mp-19133) | <1 0 0> | <1 1 0> | 233.0 |
YVO4 (mp-19133) | <1 0 1> | <1 0 0> | 219.7 |
YVO4 (mp-19133) | <1 1 0> | <1 0 0> | 329.5 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 219.7 |
TePb (mp-19717) | <1 1 0> | <1 1 0> | 233.0 |
TePb (mp-19717) | <1 1 1> | <1 1 1> | 285.3 |
Te2Mo (mp-602) | <1 0 1> | <1 1 1> | 285.3 |
Ag (mp-124) | <1 0 0> | <1 0 0> | 219.7 |
Ag (mp-124) | <1 1 1> | <1 0 0> | 274.6 |
BN (mp-984) | <0 0 1> | <1 1 1> | 285.3 |
LiNbO3 (mp-3731) | <0 0 1> | <1 1 1> | 95.1 |
Bi2Se3 (mp-541837) | <0 0 1> | <1 0 0> | 274.6 |
MoS2 (mp-1434) | <0 0 1> | <1 1 0> | 310.6 |
Al (mp-134) | <1 0 0> | <1 0 0> | 274.6 |
LiGaO2 (mp-5854) | <0 0 1> | <1 1 1> | 285.3 |
LiGaO2 (mp-5854) | <0 1 0> | <1 0 0> | 274.6 |
LiGaO2 (mp-5854) | <1 0 1> | <1 0 0> | 274.6 |
LiGaO2 (mp-5854) | <1 1 0> | <1 1 0> | 233.0 |
CdTe (mp-406) | <1 0 0> | <1 0 0> | 219.7 |
SiC (mp-7631) | <0 0 1> | <1 0 0> | 164.7 |
SiC (mp-7631) | <1 0 0> | <1 0 0> | 329.5 |
LiTaO3 (mp-3666) | <0 0 1> | <1 1 1> | 95.1 |
LiTaO3 (mp-3666) | <1 0 0> | <1 1 1> | 285.3 |
Cu (mp-30) | <1 0 0> | <1 0 0> | 219.7 |
Cu (mp-30) | <1 1 0> | <1 1 0> | 310.6 |
Cu (mp-30) | <1 1 1> | <1 0 0> | 274.6 |
GaTe (mp-542812) | <1 0 1> | <1 1 0> | 310.6 |
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 |
---|---|---|---|
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 |
TmTa3 (mp-981251) | 0.0000 | 0.350 | 2 |
V3Os (mp-866121) | 0.0000 | 0.000 | 2 |
Li3Pu (mp-977299) | 0.0000 | 0.429 | 2 |
K3Ho (mp-982663) | 0.0000 | 0.587 | 2 |
Mn3Al (mp-973149) | 0.0000 | 0.076 | 2 |
CaAcHg2 (mp-865173) | 0.0000 | 0.000 | 3 |
MnZnRh2 (mp-864987) | 0.0000 | 0.000 | 3 |
LiEr2In (mp-976743) | 0.0000 | 0.012 | 3 |
TmTlRh2 (mp-865288) | 0.0000 | 0.000 | 3 |
Li2SnPt (mp-866202) | 0.0000 | 0.000 | 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 Cd |
Final Energy/Atom-3.5311 eV |
Corrected Energy-14.1245 eV
-14.1245 eV = -14.1245 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)