Final Magnetic Moment0.546 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-1.529 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.125 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. |
Density5.53 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToDyBr3 + Dy |
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 MauguinP42/mnm [136] |
Hall-P 4n 2n |
Point Group4/mmm |
Crystal Systemtetragonal |
sign indicates spin ↑ ↓
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 1 0> | 112.7 |
AlN (mp-661) | <1 1 1> | <1 1 0> | 112.7 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 239.1 |
GaAs (mp-2534) | <1 1 0> | <1 0 1> | 237.4 |
BaF2 (mp-1029) | <1 1 0> | <1 1 0> | 112.7 |
GaN (mp-804) | <1 0 0> | <1 1 0> | 225.4 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 239.1 |
SiO2 (mp-6930) | <1 0 0> | <1 1 0> | 112.7 |
SiO2 (mp-6930) | <1 1 1> | <1 1 0> | 150.3 |
KCl (mp-23193) | <1 1 0> | <1 1 0> | 112.7 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 292.2 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 132.8 |
DyScO3 (mp-31120) | <1 1 1> | <1 0 0> | 212.5 |
InAs (mp-20305) | <1 1 0> | <1 1 0> | 112.7 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 132.8 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 0> | 292.2 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 239.1 |
CdS (mp-672) | <1 1 1> | <1 0 0> | 53.1 |
AlN (mp-661) | <0 0 1> | <1 0 0> | 159.4 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 159.2 |
AlN (mp-661) | <1 0 1> | <1 1 0> | 225.4 |
CeO2 (mp-20194) | <1 1 0> | <1 0 1> | 296.8 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 132.8 |
BaF2 (mp-1029) | <1 0 0> | <1 1 1> | 325.1 |
GaN (mp-804) | <0 0 1> | <1 0 0> | 318.8 |
GaN (mp-804) | <1 0 1> | <1 0 0> | 345.3 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 112.7 |
SiO2 (mp-6930) | <0 0 1> | <1 0 0> | 132.8 |
SiO2 (mp-6930) | <1 1 0> | <1 0 0> | 292.2 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 212.3 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 132.8 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 1> | 237.4 |
ZnSe (mp-1190) | <1 1 0> | <1 0 1> | 237.4 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 132.8 |
CdS (mp-672) | <0 0 1> | <1 1 0> | 75.1 |
CdS (mp-672) | <1 0 1> | <1 0 1> | 237.4 |
CdS (mp-672) | <1 1 0> | <1 1 0> | 150.3 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 132.8 |
LiF (mp-1138) | <1 1 0> | <0 0 1> | 212.3 |
LiF (mp-1138) | <1 1 1> | <1 1 0> | 263.0 |
Te2W (mp-22693) | <0 0 1> | <1 1 0> | 263.0 |
Te2W (mp-22693) | <1 0 0> | <1 1 1> | 195.1 |
Te2W (mp-22693) | <1 0 1> | <1 1 1> | 195.1 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 53.1 |
YVO4 (mp-19133) | <1 0 0> | <1 0 0> | 186.0 |
YVO4 (mp-19133) | <1 0 1> | <0 0 1> | 212.3 |
YVO4 (mp-19133) | <1 1 0> | <1 1 0> | 263.0 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 212.3 |
Te2Mo (mp-602) | <0 0 1> | <1 0 0> | 132.8 |
Te2Mo (mp-602) | <1 0 0> | <1 1 0> | 112.7 |
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 |
---|---|---|---|
RbPbIO6 (mp-616564) | 0.7192 | 0.000 | 4 |
NaLa6OsI12 (mp-569905) | 0.6652 | 0.000 | 4 |
SrLa6OsI12 (mp-567419) | 0.6973 | 0.000 | 4 |
LiVOF3 (mp-764787) | 0.7163 | 0.020 | 4 |
Li2VOF5 (mp-765925) | 0.7170 | 0.000 | 4 |
NdCl2 (mp-973953) | 0.0627 | 0.091 | 2 |
PmCl2 (mp-863657) | 0.0473 | 0.020 | 2 |
SmCl2 (mp-867134) | 0.0448 | 0.032 | 2 |
ErCl2 (mp-861968) | 0.0611 | 0.131 | 2 |
HoCl2 (mp-864641) | 0.0484 | 0.116 | 2 |
BaCa2I6 (mp-753716) | 0.5706 | 0.096 | 3 |
KTlO (mp-27716) | 0.4823 | 0.000 | 3 |
Mn2FeO6 (mp-767120) | 0.6174 | 0.098 | 3 |
Mn2CrO6 (mp-767158) | 0.6080 | 0.074 | 3 |
Mn5CuO12 (mp-773237) | 0.6094 | 0.054 | 3 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-points30 |
U Values-- |
PseudopotentialsVASP PAW: Dy_3 Br |
Final Energy/Atom-4.1476 eV |
Corrected Energy-24.8857 eV
-24.8857 eV = -24.8857 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)