Final Magnetic Moment0.078 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 / Atom0.590 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.590 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. |
Density2.05 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToK + Ho |
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 MauguinFm3m [225] |
Hall-F 4 2 3 |
Point Groupm3m |
Crystal Systemcubic |
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] |
---|---|---|---|
GaAs (mp-2534) | <1 1 1> | <1 0 0> | 283.1 |
DyScO3 (mp-31120) | <1 0 1> | <1 0 0> | 283.1 |
InAs (mp-20305) | <1 0 0> | <1 0 0> | 188.7 |
ZnSe (mp-1190) | <1 1 1> | <1 0 0> | 283.1 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 283.1 |
LiF (mp-1138) | <1 1 1> | <1 0 0> | 283.1 |
LiNbO3 (mp-3731) | <0 0 1> | <1 1 1> | 163.4 |
Al (mp-134) | <1 1 1> | <1 0 0> | 283.1 |
LiTaO3 (mp-3666) | <0 0 1> | <1 1 1> | 163.4 |
KTaO3 (mp-3614) | <1 1 1> | <1 0 0> | 283.1 |
YVO4 (mp-19133) | <1 0 1> | <1 0 0> | 283.1 |
GaSe (mp-1943) | <0 0 1> | <1 1 1> | 163.4 |
CdSe (mp-2691) | <1 0 0> | <1 0 0> | 188.7 |
GdScO3 (mp-5690) | <1 0 1> | <1 0 0> | 283.1 |
NaCl (mp-22862) | <1 1 0> | <1 1 0> | 133.4 |
ZrO2 (mp-2858) | <1 0 -1> | <1 0 0> | 283.1 |
TbScO3 (mp-31119) | <1 0 1> | <1 0 0> | 283.1 |
PbSe (mp-2201) | <1 0 0> | <1 0 0> | 188.7 |
TiO2 (mp-390) | <0 0 1> | <1 0 0> | 188.7 |
TiO2 (mp-390) | <1 0 0> | <1 0 0> | 188.7 |
C (mp-48) | <0 0 1> | <1 1 1> | 163.4 |
NaCl (mp-22862) | <1 1 1> | <1 1 1> | 163.4 |
GaSb (mp-1156) | <1 0 0> | <1 0 0> | 188.7 |
SrTiO3 (mp-4651) | <1 0 0> | <1 1 0> | 133.4 |
Ge (mp-32) | <1 1 1> | <1 0 0> | 283.1 |
SiC (mp-8062) | <1 0 0> | <1 0 0> | 94.4 |
ZnTe (mp-2176) | <1 0 0> | <1 0 0> | 188.7 |
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.
Once you have registered you can also "vote" for full calculation of this material's elastic properties.
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
TbAgHg2 (mp-977387) | 0.0000 | 0.000 | 3 |
TbAlCu2 (mp-971985) | 0.0000 | 0.012 | 3 |
Y2NiIr (mp-865432) | 0.0000 | 0.025 | 3 |
Y2MgAl (mp-865602) | 0.0000 | 0.000 | 3 |
HoTaRu2 (mp-866116) | 0.0000 | 0.000 | 3 |
LiMgSnPd (mp-7555) | 0.0000 | 0.000 | 4 |
LiMgSnAu (mp-7554) | 0.0000 | 0.088 | 4 |
LiMgSbPt (mp-571584) | 0.0000 | 0.086 | 4 |
LiMgSbPd (mp-10179) | 0.0000 | 0.096 | 4 |
LiMgSnPt (mp-11806) | 0.0000 | 0.000 | 4 |
Tl3Zn (mp-981380) | 0.0000 | 0.130 | 2 |
SnBi3 (mp-978882) | 0.0000 | 0.100 | 2 |
SnAs3 (mp-978881) | 0.0000 | 0.426 | 2 |
Si3Ru (mp-978509) | 0.0000 | 0.564 | 2 |
V3Ru (mp-865382) | 0.0000 | 0.000 | 2 |
Br (mp-673171) | 0.0000 | 0.630 | 1 |
Ti (mp-73) | 0.0000 | 0.112 | 1 |
I (mp-684663) | 0.0000 | 0.469 | 1 |
Cr (mp-90) | 0.0000 | 0.000 | 1 |
Bi (mp-568610) | 0.0000 | 0.136 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: K_sv Ho_3 |
Final Energy/Atom-1.3886 eV |
Corrected Energy-5.5544 eV
-5.5544 eV = -5.5544 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)