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-0.334 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.006 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. |
Density8.24 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToAlAg3 + Tb14Ag51 + TbAl2 |
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%)
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] |
---|---|---|---|
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 235.7 |
CeO2 (mp-20194) | <1 1 0> | <1 1 0> | 133.3 |
CeO2 (mp-20194) | <1 1 1> | <1 1 0> | 266.7 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 133.3 |
GaAs (mp-2534) | <1 1 1> | <1 0 0> | 282.9 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 188.6 |
GaN (mp-804) | <1 1 0> | <1 1 0> | 266.7 |
DyScO3 (mp-31120) | <0 1 1> | <1 1 1> | 163.3 |
DyScO3 (mp-31120) | <1 0 1> | <1 1 1> | 163.3 |
InAs (mp-20305) | <1 0 0> | <1 0 0> | 188.6 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 133.3 |
ZnSe (mp-1190) | <1 1 1> | <1 0 0> | 282.9 |
KTaO3 (mp-3614) | <1 1 1> | <1 0 0> | 141.4 |
CdS (mp-672) | <0 0 1> | <1 1 1> | 245.0 |
CdS (mp-672) | <1 0 0> | <1 0 0> | 141.4 |
CdS (mp-672) | <1 1 0> | <1 1 0> | 200.0 |
LiF (mp-1138) | <1 1 0> | <1 1 0> | 266.7 |
Te2W (mp-22693) | <0 1 1> | <1 0 0> | 235.7 |
Ag (mp-124) | <1 1 0> | <1 1 0> | 200.0 |
BN (mp-984) | <1 0 0> | <1 0 0> | 235.7 |
Bi2Se3 (mp-541837) | <0 0 1> | <1 1 1> | 245.0 |
MoS2 (mp-1434) | <0 0 1> | <1 0 0> | 235.7 |
Al (mp-134) | <1 1 1> | <1 0 0> | 141.4 |
SiC (mp-7631) | <0 0 1> | <1 0 0> | 330.0 |
Fe3O4 (mp-19306) | <1 1 0> | <1 1 0> | 200.0 |
MgO (mp-1265) | <1 0 0> | <1 0 0> | 235.7 |
MgO (mp-1265) | <1 1 0> | <1 1 0> | 200.0 |
TiO2 (mp-2657) | <0 0 1> | <1 0 0> | 188.6 |
Ge3(BiO3)4 (mp-23560) | <1 0 0> | <1 0 0> | 235.7 |
C (mp-66) | <1 0 0> | <1 0 0> | 235.7 |
C (mp-66) | <1 1 0> | <1 1 0> | 200.0 |
GdScO3 (mp-5690) | <0 1 1> | <1 1 1> | 163.3 |
GdScO3 (mp-5690) | <1 0 1> | <1 0 0> | 282.9 |
Mg (mp-153) | <0 0 1> | <1 0 0> | 235.7 |
Mg (mp-153) | <1 1 0> | <1 1 0> | 266.7 |
Mg (mp-153) | <1 1 1> | <1 0 0> | 235.7 |
KP(HO2)2 (mp-23959) | <1 0 0> | <1 0 0> | 235.7 |
PbS (mp-21276) | <1 0 0> | <1 0 0> | 188.6 |
PbS (mp-21276) | <1 1 0> | <1 1 0> | 200.0 |
PbS (mp-21276) | <1 1 1> | <1 1 1> | 245.0 |
GaP (mp-2490) | <1 0 0> | <1 0 0> | 235.7 |
GaP (mp-2490) | <1 1 0> | <1 1 0> | 133.3 |
GaP (mp-2490) | <1 1 1> | <1 1 0> | 266.7 |
InP (mp-20351) | <1 1 0> | <1 1 0> | 200.0 |
InP (mp-20351) | <1 1 1> | <1 1 1> | 245.0 |
TbScO3 (mp-31119) | <0 1 1> | <1 1 1> | 163.3 |
TbScO3 (mp-31119) | <1 0 1> | <1 1 1> | 163.3 |
Ni (mp-23) | <1 0 0> | <1 1 1> | 245.0 |
Ni (mp-23) | <1 1 0> | <1 1 1> | 245.0 |
Ni (mp-23) | <1 1 1> | <1 0 0> | 330.0 |
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 |
---|---|---|---|
YErTl2 (mp-981548) | 0.0000 | 0.000 | 3 |
NdLuMg2 (mp-975515) | 0.0000 | 0.009 | 3 |
Li2AcTl (mp-976333) | 0.0000 | 0.001 | 3 |
NaCeAu2 (mp-865080) | 0.0000 | 0.017 | 3 |
KSc2Co (mp-631466) | 0.0000 | 1.151 | 3 |
TiFeCoSb (mp-998973) | 0.0000 | 0.186 | 4 |
TiAlFeCo (mp-998980) | 0.0000 | 0.000 | 4 |
TiFeCoGe (mp-1018012) | 0.0000 | 0.028 | 4 |
VFeCoSi (mp-1066609) | 0.0000 | 0.002 | 4 |
VFeCoSb (mp-1066862) | 0.0000 | 0.163 | 4 |
Sn3B (mp-978917) | 0.0000 | 0.937 | 2 |
MgSn3 (mp-1094230) | 0.0000 | 0.091 | 2 |
Rb3Nd (mp-974850) | 0.0000 | 0.619 | 2 |
Ti3Si (mp-998986) | 0.0000 | 0.194 | 2 |
LiB (mp-1001831) | 0.0000 | 0.386 | 2 |
Cu (mp-998890) | 0.0000 | 0.037 | 1 |
Kr (mp-974400) | 0.0000 | 0.002 | 1 |
H2 (mp-632250) | 0.0000 | 0.000 | 1 |
Ge (mp-998883) | 0.0000 | 0.339 | 1 |
U (mp-108) | 0.0000 | 0.269 | 1 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Tb_3 Al Ag |
Final Energy/Atom-3.8448 eV |
Corrected Energy-15.3792 eV
-15.3792 eV = -15.3792 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)