Final Magnetic Moment7.001 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-0.725 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.073 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. |
Density3.33 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToEu3S4 + CS14 + N2 + C |
Band Gap0.885 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 MauguinC2/c [15] |
Hall-C 2yc |
Point Group2/m |
Crystal Systemmonoclinic |
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] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <1 0 1> | 255.1 |
LaAlO3 (mp-2920) | <1 0 0> | <1 0 0> | 209.4 |
LaAlO3 (mp-2920) | <1 1 1> | <1 0 1> | 255.1 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 157.1 |
AlN (mp-661) | <1 0 1> | <0 1 0> | 249.1 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 329.6 |
AlN (mp-661) | <1 1 1> | <0 0 1> | 329.6 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 329.6 |
GaAs (mp-2534) | <1 0 0> | <1 0 1> | 170.0 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 197.8 |
BaF2 (mp-1029) | <1 1 0> | <1 0 1> | 170.0 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 314.1 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 65.9 |
GaN (mp-804) | <1 0 1> | <1 0 0> | 157.1 |
GaN (mp-804) | <1 1 0> | <0 0 1> | 197.8 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 329.6 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 329.6 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 209.4 |
KCl (mp-23193) | <1 1 0> | <1 0 1> | 170.0 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 261.8 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 261.8 |
DyScO3 (mp-31120) | <1 1 1> | <1 1 0> | 294.5 |
ZnSe (mp-1190) | <1 0 0> | <1 0 1> | 170.0 |
KTaO3 (mp-3614) | <1 0 0> | <0 1 1> | 212.0 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 1> | 255.1 |
KTaO3 (mp-3614) | <1 1 1> | <1 0 0> | 261.8 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 263.7 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 261.8 |
LiF (mp-1138) | <1 1 0> | <1 0 1> | 255.1 |
LiF (mp-1138) | <1 1 1> | <1 0 0> | 261.8 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 65.9 |
Te2W (mp-22693) | <1 0 0> | <0 0 1> | 197.8 |
Te2W (mp-22693) | <1 0 1> | <1 0 0> | 104.7 |
YVO4 (mp-19133) | <1 0 0> | <0 0 1> | 329.6 |
YVO4 (mp-19133) | <1 1 0> | <0 0 1> | 65.9 |
TePb (mp-19717) | <1 0 0> | <1 0 1> | 85.0 |
BaTiO3 (mp-5986) | <0 0 1> | <1 0 0> | 261.8 |
BaTiO3 (mp-5986) | <1 1 1> | <1 0 0> | 261.8 |
Ag (mp-124) | <1 1 1> | <1 0 0> | 261.8 |
SiC (mp-11714) | <1 1 0> | <0 0 1> | 329.6 |
SiC (mp-11714) | <1 1 1> | <0 1 0> | 166.1 |
GaSe (mp-1943) | <0 0 1> | <1 0 1> | 255.1 |
MoSe2 (mp-1634) | <0 0 1> | <1 0 0> | 261.8 |
MoSe2 (mp-1634) | <1 0 1> | <0 0 1> | 329.6 |
BN (mp-984) | <1 0 1> | <0 0 1> | 263.7 |
Ga2O3 (mp-886) | <1 0 0> | <0 0 1> | 197.8 |
Si (mp-149) | <1 0 0> | <0 0 1> | 329.6 |
Au (mp-81) | <1 0 0> | <0 0 1> | 263.7 |
Au (mp-81) | <1 1 1> | <1 0 0> | 261.8 |
Al (mp-134) | <1 0 0> | <0 1 1> | 212.0 |
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 |
---|---|---|---|
KHF2 (mp-23846) | 0.6492 | 0.000 | 3 |
CsSrN9 (mp-29228) | 0.6916 | 0.008 | 3 |
Cs2SrN12 (mp-621930) | 0.6855 | 0.009 | 3 |
RbHF2 (mp-29764) | 0.6760 | 0.000 | 3 |
RbHF2 (mp-677103) | 0.5861 | 0.002 | 3 |
KCSN (mp-6511) | 0.4742 | 0.004 | 4 |
PbC2(SN)2 (mp-20605) | 0.1740 | 0.139 | 4 |
SrC2(SN)2 (mp-10927) | 0.0624 | 0.032 | 4 |
BaC2(SN)2 (mp-10928) | 0.1235 | 0.016 | 4 |
CaC2(SN)2 (mp-11009) | 0.1444 | 0.085 | 4 |
NaN3 (mp-634410) | 0.5119 | 0.270 | 2 |
PbN6 (mp-620058) | 0.6024 | 0.090 | 2 |
HgCl2 (mp-22855) | 0.5690 | 0.000 | 2 |
TlN3 (mp-870) | 0.6838 | 0.041 | 2 |
KN3 (mp-827) | 0.6698 | 0.000 | 2 |
PbCSNCl (mp-672333) | 0.6088 | 0.101 | 5 |
RbBiC4(SN)4 (mp-647987) | 0.6389 | 0.156 | 5 |
Fe2Te2W(CO)10 (mp-566216) | 0.7431 | 0.616 | 5 |
HPbCSNO (mp-643306) | 0.6309 | 0.209 | 6 |
Fe2TeWC10SeO10 (mp-624009) | 0.6779 | 0.629 | 6 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu C S N |
Final Energy/Atom-8.0963 eV |
Corrected Energy-116.0027 eV
-116.0027 eV = -113.3489 eV (uncorrected energy) - 2.6538 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)