Final Magnetic Moment5.861 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-0.110 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.016 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. |
Density8.69 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToCeCo2 + Co |
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 MauguinP6/mmm [191] |
Hall-P 6 2 |
Point Group6/mmm |
Crystal Systemhexagonal |
Topological ClassificationSM*
|
SubclassificationESFD†
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Crossing TypePoint
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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 0> | <1 0 0> | 78.6 |
AlN (mp-661) | <1 1 1> | <1 0 0> | 255.5 |
GaAs (mp-2534) | <1 0 0> | <1 0 1> | 199.5 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 136.2 |
BaF2 (mp-1029) | <1 0 0> | <1 0 1> | 285.0 |
BaF2 (mp-1029) | <1 1 0> | <1 0 0> | 275.2 |
BaF2 (mp-1029) | <1 1 1> | <0 0 1> | 268.3 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 61.9 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 98.3 |
GaN (mp-804) | <1 0 1> | <1 0 0> | 255.5 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 272.4 |
GaN (mp-804) | <1 1 1> | <0 0 1> | 206.4 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 20.6 |
SiO2 (mp-6930) | <1 0 0> | <1 0 0> | 78.6 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 103.2 |
SiO2 (mp-6930) | <1 1 0> | <1 1 0> | 136.2 |
SiO2 (mp-6930) | <1 1 1> | <1 1 0> | 102.1 |
KCl (mp-23193) | <1 0 0> | <1 0 1> | 285.0 |
KCl (mp-23193) | <1 1 1> | <0 0 1> | 268.3 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 255.5 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 314.5 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 0> | 157.2 |
DyScO3 (mp-31120) | <1 0 0> | <1 1 0> | 136.2 |
DyScO3 (mp-31120) | <1 0 1> | <1 1 1> | 159.2 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 196.6 |
DyScO3 (mp-31120) | <1 1 1> | <1 1 1> | 278.7 |
InAs (mp-20305) | <1 0 0> | <1 0 0> | 294.8 |
InAs (mp-20305) | <1 1 0> | <1 0 0> | 275.2 |
InAs (mp-20305) | <1 1 1> | <0 0 1> | 268.3 |
ZnSe (mp-1190) | <1 0 0> | <1 0 1> | 199.5 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 136.2 |
ZnSe (mp-1190) | <1 1 1> | <1 0 0> | 275.2 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 98.3 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 68.1 |
KTaO3 (mp-3614) | <1 1 1> | <0 0 1> | 82.5 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 61.9 |
CdS (mp-672) | <1 0 0> | <1 1 1> | 119.4 |
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 185.7 |
LaAlO3 (mp-2920) | <1 0 0> | <1 0 0> | 137.6 |
CdS (mp-672) | <1 0 1> | <1 0 0> | 235.9 |
CdS (mp-672) | <1 1 0> | <1 0 0> | 334.1 |
AlN (mp-661) | <0 0 1> | <1 0 0> | 255.5 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 78.6 |
AlN (mp-661) | <1 0 1> | <1 0 1> | 142.5 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 98.3 |
LiF (mp-1138) | <1 1 0> | <1 1 0> | 68.1 |
LiF (mp-1138) | <1 1 1> | <0 0 1> | 82.5 |
YVO4 (mp-19133) | <1 0 0> | <0 0 1> | 185.7 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 103.2 |
Ag (mp-124) | <1 1 0> | <1 1 0> | 102.1 |
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 |
---|---|---|---|
CeZn3Cu2 (mp-7247) | 0.1031 | 0.000 | 3 |
LaNi3Rh2 (mp-1018743) | 0.0267 | 0.065 | 3 |
HoCo3Cu2 (mp-1018723) | 0.0499 | 0.043 | 3 |
CeZn3Pd2 (mp-13118) | 0.0074 | 0.000 | 3 |
UGa3Pd2 (mp-20899) | 0.1308 | 0.041 | 3 |
DyRh5 (mp-30620) | 0.0116 | 0.076 | 2 |
GdRh5 (mp-571283) | 0.0115 | 0.073 | 2 |
CeCo5 (mp-991078) | 0.0079 | 0.016 | 2 |
TbRh5 (mp-11562) | 0.0034 | 0.070 | 2 |
YRh5 (mp-11565) | 0.0028 | 0.083 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Ce Co |
Final Energy/Atom-7.0221 eV |
Corrected Energy-42.1328 eV
-42.1328 eV = -42.1328 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)