Final Magnetic Moment16.000 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingUnknown |
Formation Energy / Atom-3.442 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.091 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. |
Density7.73 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToTb2O3 + O2 |
Band Gap0.011 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 MauguinP1 [2] |
Hall-P 1 |
Point Group1 |
Crystal Systemtriclinic |
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] |
---|---|---|---|
AlN (mp-661) | <1 1 1> | <0 0 1> | 317.7 |
AlN (mp-661) | <1 0 0> | <0 1 0> | 254.4 |
CdS (mp-672) | <1 0 1> | <1 1 -1> | 194.2 |
CdS (mp-672) | <1 1 0> | <0 1 1> | 100.5 |
Te2W (mp-22693) | <1 0 0> | <1 1 -1> | 194.2 |
YVO4 (mp-19133) | <1 1 0> | <0 0 1> | 317.7 |
CdS (mp-672) | <1 0 0> | <0 1 1> | 201.0 |
Te2Mo (mp-602) | <1 1 0> | <1 1 -1> | 194.2 |
Ag (mp-124) | <1 1 0> | <0 0 1> | 317.7 |
GaSe (mp-1943) | <1 1 0> | <0 0 1> | 238.3 |
GaSe (mp-1943) | <1 1 1> | <0 0 1> | 238.3 |
BN (mp-984) | <1 1 1> | <0 0 1> | 317.7 |
GaSe (mp-1943) | <0 0 1> | <0 1 1> | 100.5 |
BN (mp-984) | <0 0 1> | <0 0 1> | 158.9 |
BN (mp-984) | <1 0 0> | <1 1 -1> | 194.2 |
MoS2 (mp-1434) | <0 0 1> | <0 1 0> | 254.4 |
LiGaO2 (mp-5854) | <1 1 0> | <1 1 -1> | 194.2 |
LiGaO2 (mp-5854) | <0 1 0> | <0 1 0> | 254.4 |
TeO2 (mp-2125) | <0 1 0> | <0 1 1> | 201.0 |
TeO2 (mp-2125) | <0 0 1> | <0 1 0> | 254.4 |
TiO2 (mp-2657) | <1 1 1> | <0 0 1> | 238.3 |
Mg (mp-153) | <0 0 1> | <0 1 0> | 254.4 |
Mg (mp-153) | <1 0 1> | <0 0 1> | 317.7 |
BaTiO3 (mp-5986) | <1 1 1> | <0 0 1> | 317.7 |
Ga2O3 (mp-886) | <1 0 -1> | <1 1 -1> | 194.2 |
C (mp-48) | <0 0 1> | <0 1 0> | 84.8 |
WSe2 (mp-1821) | <1 0 0> | <0 1 1> | 100.5 |
Au (mp-81) | <1 1 0> | <0 0 1> | 317.7 |
WS2 (mp-224) | <0 0 1> | <0 1 0> | 254.4 |
C (mp-48) | <1 0 0> | <1 1 -1> | 194.2 |
ZrO2 (mp-2858) | <1 0 -1> | <0 0 1> | 317.7 |
MgF2 (mp-1249) | <1 1 1> | <0 0 1> | 238.3 |
Cu (mp-30) | <1 1 0> | <0 0 1> | 317.7 |
GaTe (mp-542812) | <1 0 0> | <0 0 1> | 317.7 |
Al2O3 (mp-1143) | <1 0 0> | <0 0 1> | 317.7 |
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 |
---|---|---|---|
Ce16O27 (mp-684594) | 0.5619 | 0.002 | 2 |
Pr5O9 (mp-559956) | 0.3805 | 0.053 | 2 |
Pr6O11 (mp-8825) | 0.3634 | 0.062 | 2 |
Pr9O16 (mp-557002) | 0.3390 | 0.046 | 2 |
Tb11O20 (mp-17987) | 0.3553 | 0.087 | 2 |
Ce3Y4O12 (mp-755046) | 0.5614 | 0.068 | 3 |
Ce2Y2O7 (mp-36699) | 0.5534 | 0.039 | 3 |
La3Ce4O12 (mp-756286) | 0.5565 | 0.053 | 3 |
Ce2Nd2O7 (mp-38284) | 0.6716 | 0.072 | 3 |
CaZr4O9 (mp-554190) | 0.6796 | 0.002 | 3 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-points16 |
U Values-- |
PseudopotentialsVASP PAW: O Tb_3 |
Final Energy/Atom-7.8136 eV |
Corrected Energy-562.2259 eV
-562.2259 eV = -531.3252 eV (uncorrected energy) - 30.9008 eV (MP Anion Correction)
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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)