Final Magnetic Moment14.000 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-1.228 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.038 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. |
Density5.82 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToGeSe2 + EuSe |
Band Gap0.021 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 MauguinP21/m [11] |
Hall-P 2yb |
Point Group2/m |
Crystal Systemmonoclinic |
Topological Classificationtrivial*
|
SubclassificationLCEBR†
|
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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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
AlN (mp-661) | <0 0 1> | <1 1 0> | 244.8 |
GaAs (mp-2534) | <1 1 1> | <0 0 1> | 294.5 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 196.4 |
GaN (mp-804) | <0 0 1> | <0 1 0> | 168.9 |
GaN (mp-804) | <1 0 0> | <0 1 1> | 149.4 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 343.6 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 343.6 |
LaAlO3 (mp-2920) | <0 0 1> | <0 1 0> | 225.2 |
SiO2 (mp-6930) | <1 0 1> | <1 0 1> | 175.1 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 245.5 |
AlN (mp-661) | <1 0 1> | <1 0 -1> | 321.8 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 245.5 |
KTaO3 (mp-3614) | <1 0 0> | <0 1 0> | 281.4 |
KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 343.6 |
CdS (mp-672) | <0 0 1> | <0 1 0> | 281.4 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 59.1 |
CdS (mp-672) | <1 1 0> | <1 0 -1> | 257.4 |
CdS (mp-672) | <1 1 1> | <1 0 -1> | 257.4 |
GaN (mp-804) | <1 1 0> | <1 1 1> | 208.1 |
GaN (mp-804) | <1 1 1> | <0 1 0> | 337.7 |
SiO2 (mp-6930) | <1 0 0> | <1 0 -1> | 257.4 |
LiF (mp-1138) | <1 1 1> | <0 0 1> | 147.3 |
Te2W (mp-22693) | <0 1 0> | <1 0 -1> | 321.8 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 196.4 |
DyScO3 (mp-31120) | <1 1 0> | <0 0 1> | 245.5 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 196.4 |
TePb (mp-19717) | <1 1 1> | <0 1 0> | 225.2 |
Te2Mo (mp-602) | <0 0 1> | <1 0 1> | 87.5 |
Ag (mp-124) | <1 1 1> | <0 0 1> | 147.3 |
LiF (mp-1138) | <1 0 0> | <0 1 0> | 281.4 |
LiF (mp-1138) | <1 1 0> | <0 0 1> | 343.6 |
Te2W (mp-22693) | <0 0 1> | <1 0 1> | 87.5 |
BN (mp-984) | <0 0 1> | <1 0 0> | 295.5 |
LiNbO3 (mp-3731) | <1 1 0> | <1 0 -1> | 128.7 |
YVO4 (mp-19133) | <1 1 0> | <1 0 1> | 262.6 |
Te2Mo (mp-602) | <1 0 0> | <1 0 -1> | 321.8 |
Ag (mp-124) | <1 0 0> | <1 0 0> | 177.3 |
Ag (mp-124) | <1 1 0> | <1 1 -1> | 171.0 |
Al (mp-134) | <1 0 0> | <0 1 0> | 281.4 |
Al (mp-134) | <1 1 0> | <0 0 1> | 343.6 |
GaSe (mp-1943) | <0 0 1> | <1 1 0> | 163.2 |
BN (mp-984) | <1 0 0> | <1 1 -1> | 256.5 |
BN (mp-984) | <1 0 1> | <0 1 0> | 225.2 |
LiGaO2 (mp-5854) | <1 0 1> | <0 1 0> | 225.2 |
CdTe (mp-406) | <1 1 1> | <0 1 0> | 225.2 |
LiNbO3 (mp-3731) | <0 0 1> | <1 0 -1> | 193.1 |
TeO2 (mp-2125) | <0 0 1> | <0 1 0> | 337.7 |
SiC (mp-7631) | <0 0 1> | <0 1 0> | 225.2 |
LiTaO3 (mp-3666) | <1 1 0> | <1 0 -1> | 128.7 |
MoS2 (mp-1434) | <0 0 1> | <0 1 0> | 168.9 |
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 |
---|---|---|---|
K2ZnBr4 (mp-23495) | 0.2450 | 0.001 | 3 |
K2ZnBr4 (mp-23535) | 0.3637 | 0.000 | 3 |
Eu2SiS4 (mp-22504) | 0.2654 | 0.000 | 3 |
Sr2GeS4 (mp-4578) | 0.2263 | 0.000 | 3 |
Eu2GeSe4 (mp-574320) | 0.0194 | 0.038 | 3 |
KEuPSe4 (mp-628715) | 0.4839 | 0.011 | 4 |
Er2SiSeO4 (mp-17633) | 0.5137 | 0.026 | 4 |
Ba2Ge(TeSe)2 (mp-570803) | 0.4636 | 0.000 | 4 |
NaEr(PS3)2 (mp-12384) | 0.4667 | 0.000 | 4 |
KCeSiS4 (mp-11170) | 0.5147 | 0.033 | 4 |
Ga2I3 (mp-636675) | 0.6120 | 0.000 | 2 |
GaBr2 (mp-650841) | 0.7319 | 0.011 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu Ge_d Se |
Final Energy/Atom-6.8255 eV |
Corrected Energy-95.5572 eV
-95.5572 eV = -95.5572 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)