Final Magnetic Moment0.000 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-0.916 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.153 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. |
Density15.54 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToYb5Pt4 + YbPt2 |
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 MauguinR3 [148] |
Hall-R 3 |
Point Group3 |
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%)
Select an element to display a spectrum averaged over all sites of that element in the structure.
Apply Gaussian smoothing:
Download spectra for every symmetrically equivalent absorption site in the structure.
Download FEFF Input parameters.
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 295.4 |
GaN (mp-804) | <1 1 0> | <1 0 0> | 147.7 |
SiO2 (mp-6930) | <1 0 0> | <1 0 0> | 221.5 |
SiO2 (mp-6930) | <1 1 0> | <1 0 0> | 147.7 |
DyScO3 (mp-31120) | <0 0 1> | <1 0 0> | 221.5 |
DyScO3 (mp-31120) | <1 0 0> | <1 0 0> | 221.5 |
DyScO3 (mp-31120) | <1 0 1> | <1 0 0> | 221.5 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 295.4 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 255.8 |
KTaO3 (mp-3614) | <1 1 1> | <1 0 0> | 221.5 |
LiF (mp-1138) | <1 1 0> | <1 1 0> | 255.8 |
Te2W (mp-22693) | <0 0 1> | <1 0 0> | 221.5 |
BN (mp-984) | <1 1 0> | <1 0 0> | 295.4 |
Al (mp-134) | <1 1 0> | <1 1 0> | 255.8 |
Al (mp-134) | <1 1 1> | <1 0 0> | 221.5 |
TeO2 (mp-2125) | <0 0 1> | <1 1 0> | 127.9 |
GdScO3 (mp-5690) | <0 0 1> | <1 1 0> | 127.9 |
GdScO3 (mp-5690) | <0 1 0> | <1 0 0> | 221.5 |
GdScO3 (mp-5690) | <0 1 1> | <1 0 0> | 221.5 |
GdScO3 (mp-5690) | <1 0 0> | <1 0 0> | 221.5 |
GdScO3 (mp-5690) | <1 0 1> | <1 0 0> | 221.5 |
Mg (mp-153) | <1 0 0> | <1 0 0> | 221.5 |
Mg (mp-153) | <1 1 0> | <1 0 0> | 147.7 |
GaP (mp-2490) | <1 1 0> | <1 0 0> | 221.5 |
TbScO3 (mp-31119) | <0 0 1> | <1 1 0> | 127.9 |
TbScO3 (mp-31119) | <1 0 0> | <1 0 0> | 221.5 |
TbScO3 (mp-31119) | <1 0 1> | <1 0 0> | 221.5 |
BaTiO3 (mp-5986) | <0 0 1> | <1 1 0> | 127.9 |
BaTiO3 (mp-5986) | <1 0 1> | <1 1 0> | 255.8 |
NdGaO3 (mp-3196) | <1 0 1> | <1 0 0> | 221.5 |
SiC (mp-11714) | <1 1 1> | <1 0 0> | 221.5 |
NaCl (mp-22862) | <1 0 0> | <1 1 0> | 127.9 |
MgF2 (mp-1249) | <1 0 1> | <1 0 0> | 295.4 |
ZnO (mp-2133) | <1 1 1> | <1 1 0> | 127.9 |
SrTiO3 (mp-4651) | <1 0 0> | <1 0 0> | 221.5 |
Ge (mp-32) | <1 0 0> | <1 0 0> | 295.4 |
CaF2 (mp-2741) | <1 1 0> | <1 0 0> | 221.5 |
NdGaO3 (mp-3196) | <0 0 1> | <1 0 0> | 221.5 |
NdGaO3 (mp-3196) | <1 0 0> | <1 0 0> | 221.5 |
SiC (mp-11714) | <1 0 1> | <1 0 0> | 221.5 |
MoSe2 (mp-1634) | <1 1 0> | <1 1 0> | 255.8 |
WSe2 (mp-1821) | <1 1 0> | <1 1 0> | 255.8 |
NaCl (mp-22862) | <1 1 0> | <1 0 0> | 221.5 |
CdWO4 (mp-19387) | <0 1 0> | <1 0 0> | 295.4 |
ZnO (mp-2133) | <1 1 0> | <1 0 0> | 147.7 |
SrTiO3 (mp-4651) | <0 0 1> | <1 0 0> | 221.5 |
SrTiO3 (mp-4651) | <1 0 1> | <1 0 0> | 221.5 |
Al2O3 (mp-1143) | <1 1 0> | <1 0 0> | 221.5 |
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 |
---|---|---|---|
CsMg6Mo (mp-1017097) | 0.6921 | 0.450 | 3 |
Dy2(Ga3Ru)3 (mp-22627) | 0.7014 | 0.000 | 3 |
Na5LiN2 (mp-568700) | 0.6216 | 0.478 | 3 |
CsMg6Mo (mp-1098068) | 0.7033 | 0.450 | 3 |
Nd3Au4 (mp-12788) | 0.2619 | 0.000 | 2 |
Pu3Pd4 (mp-17717) | 0.1882 | 0.000 | 2 |
Th3Au4 (mp-865377) | 0.2727 | 0.000 | 2 |
Ca3Au4 (mp-12699) | 0.1909 | 0.000 | 2 |
Pr3Pt4 (mp-570734) | 0.1941 | 0.019 | 2 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Yb_2 Pt |
Final Energy/Atom-5.0452 eV |
Corrected Energy-70.6331 eV
-70.6331 eV = -70.6331 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)