Final Magnetic Moment6.000 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFiM |
Formation Energy / Atom-1.236 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.002 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. |
Density6.47 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToEuN + BN |
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 MauguinR3c [167] |
Hall-R 3 2"c |
Point Group3m |
Crystal Systemtrigonal |
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%)
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
AlN (mp-661) | <1 0 0> | <1 0 0> | 253.7 |
AlN (mp-661) | <1 0 1> | <1 0 0> | 253.7 |
GaAs (mp-2534) | <1 1 1> | <1 0 0> | 169.2 |
ZnSe (mp-1190) | <1 1 1> | <1 0 0> | 169.2 |
CdWO4 (mp-19387) | <1 0 0> | <0 0 1> | 125.6 |
BN (mp-984) | <0 0 1> | <1 0 0> | 169.2 |
Fe3O4 (mp-19306) | <1 1 1> | <0 0 1> | 125.6 |
MgO (mp-1265) | <1 1 0> | <1 0 0> | 253.7 |
MgO (mp-1265) | <1 1 1> | <0 0 1> | 125.6 |
YVO4 (mp-19133) | <0 0 1> | <1 0 0> | 253.7 |
KP(HO2)2 (mp-23959) | <0 1 0> | <1 1 0> | 146.5 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 169.2 |
CdS (mp-672) | <1 0 0> | <1 1 0> | 146.5 |
CdS (mp-672) | <1 1 0> | <1 0 0> | 253.7 |
LiNbO3 (mp-3731) | <0 0 1> | <1 0 0> | 169.2 |
SiC (mp-11714) | <1 0 1> | <1 0 0> | 253.7 |
Ga2O3 (mp-886) | <1 0 0> | <1 0 0> | 253.7 |
Au (mp-81) | <1 1 0> | <1 1 0> | 146.5 |
C (mp-66) | <1 0 0> | <1 0 0> | 253.7 |
C (mp-66) | <1 1 0> | <1 0 0> | 253.7 |
Cu (mp-30) | <1 1 0> | <1 1 0> | 146.5 |
NaCl (mp-22862) | <1 1 1> | <1 0 0> | 169.2 |
ZrO2 (mp-2858) | <1 0 -1> | <1 1 0> | 146.5 |
YAlO3 (mp-3792) | <0 1 1> | <1 1 1> | 192.9 |
Ag (mp-124) | <1 1 0> | <1 1 0> | 146.5 |
Ge (mp-32) | <1 1 1> | <1 0 0> | 169.2 |
BaTiO3 (mp-5986) | <1 0 0> | <0 0 1> | 251.1 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 251.1 |
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 |
---|---|---|---|
PrBN2 (mp-9028) | 0.1322 | 0.000 | 3 |
NaBO2 (mp-3889) | 0.3585 | 0.000 | 3 |
KBO2 (mp-3919) | 0.4598 | 0.000 | 3 |
KBS2 (mp-15012) | 0.2695 | 0.000 | 3 |
RbBS2 (mp-15013) | 0.3278 | 0.000 | 3 |
K2MoC2O9 (mp-565448) | 0.7402 | 0.530 | 4 |
K2WC2O9 (mp-566302) | 0.7162 | 0.352 | 4 |
LiV(CO3)2 (mp-767983) | 0.7263 | 0.081 | 4 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Eu B N |
Final Energy/Atom-9.4549 eV |
Corrected Energy-226.9183 eV
-226.9183 eV = -226.9183 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)