Final Magnetic Moment0.012 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingNM |
Formation Energy / Atom-0.285 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.011 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. |
Density7.88 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToDy3Zn11 + Dy2Zn17 |
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*
|
SubclassificationES†
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Crossing TypeLine
|
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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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 24.4 |
LaAlO3 (mp-2920) | <1 0 1> | <0 0 1> | 73.1 |
LaAlO3 (mp-2920) | <1 1 1> | <0 0 1> | 121.8 |
AlN (mp-661) | <0 0 1> | <1 0 0> | 67.4 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 157.2 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 268.0 |
AlN (mp-661) | <1 1 0> | <1 0 1> | 132.6 |
AlN (mp-661) | <1 1 1> | <1 0 0> | 112.3 |
CeO2 (mp-20194) | <1 0 0> | <1 1 0> | 272.4 |
CeO2 (mp-20194) | <1 1 1> | <0 0 1> | 219.3 |
GaAs (mp-2534) | <1 1 0> | <1 0 0> | 336.9 |
GaAs (mp-2534) | <1 1 1> | <0 0 1> | 170.6 |
BaF2 (mp-1029) | <1 0 0> | <1 0 1> | 232.0 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 170.6 |
GaN (mp-804) | <1 0 0> | <1 0 0> | 67.4 |
GaN (mp-804) | <1 0 1> | <1 0 1> | 232.0 |
GaN (mp-804) | <1 1 0> | <1 0 0> | 89.9 |
GaN (mp-804) | <1 1 1> | <1 0 1> | 265.1 |
SiO2 (mp-6930) | <0 0 1> | <1 1 0> | 233.4 |
SiO2 (mp-6930) | <1 0 0> | <1 0 0> | 292.0 |
SiO2 (mp-6930) | <1 0 1> | <1 1 1> | 137.7 |
SiO2 (mp-6930) | <1 1 0> | <1 1 0> | 233.4 |
SiO2 (mp-6930) | <1 1 1> | <1 1 0> | 155.6 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 121.8 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 116.7 |
KCl (mp-23193) | <1 1 1> | <0 0 1> | 73.1 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 89.9 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 247.1 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 0> | 157.2 |
DyScO3 (mp-31120) | <1 0 0> | <0 0 1> | 316.8 |
DyScO3 (mp-31120) | <1 1 1> | <1 1 0> | 272.4 |
InAs (mp-20305) | <1 0 0> | <1 0 1> | 232.0 |
ZnSe (mp-1190) | <1 1 0> | <1 0 0> | 336.9 |
ZnSe (mp-1190) | <1 1 1> | <0 0 1> | 170.6 |
KTaO3 (mp-3614) | <1 0 0> | <1 1 1> | 275.4 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 1> | 265.1 |
KTaO3 (mp-3614) | <1 1 1> | <1 0 1> | 198.8 |
CdS (mp-672) | <0 0 1> | <1 0 0> | 157.2 |
CdS (mp-672) | <1 0 0> | <1 1 0> | 116.7 |
CdS (mp-672) | <1 0 1> | <1 0 0> | 67.4 |
CdS (mp-672) | <1 1 0> | <1 0 0> | 292.0 |
LiF (mp-1138) | <1 0 0> | <1 1 1> | 275.4 |
LiF (mp-1138) | <1 1 0> | <1 0 1> | 265.1 |
LiF (mp-1138) | <1 1 1> | <1 0 1> | 198.8 |
Te2W (mp-22693) | <0 0 1> | <1 1 0> | 233.4 |
Te2W (mp-22693) | <0 1 1> | <1 0 0> | 179.7 |
Te2W (mp-22693) | <1 0 1> | <1 0 0> | 202.2 |
YVO4 (mp-19133) | <1 1 0> | <1 0 0> | 314.5 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 219.3 |
TePb (mp-19717) | <1 1 0> | <1 1 1> | 183.6 |
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 |
---|---|---|---|
CeZn3Cu2 (mp-7247) | 0.0678 | 0.000 | 3 |
CeGa3Pd2 (mp-3494) | 0.0113 | 0.000 | 3 |
UAl3Pd2 (mp-4561) | 0.0783 | 0.080 | 3 |
UGa3Pd2 (mp-20899) | 0.0409 | 0.041 | 3 |
LaGa3Pd2 (mp-21201) | 0.0680 | 0.000 | 3 |
SrPt5 (mp-570832) | 0.0078 | 0.000 | 2 |
LaNi5 (mp-2317) | 0.0071 | 0.000 | 2 |
ThFe5 (mp-2689) | 0.0064 | 0.000 | 2 |
PrCu5 (mp-2462) | 0.0052 | 0.000 | 2 |
YCo5 (mp-2827) | 0.0078 | 0.000 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Dy_3 Zn |
Final Energy/Atom-2.1028 eV |
Corrected Energy-12.6168 eV
-12.6168 eV = -12.6168 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)