Final Magnetic Moment5.979 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFiM |
Formation Energy / Atom-1.941 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.044 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. |
Density5.31 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToLiCoSbO4 + Li2SnO3 + CoSb + SnO2 |
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 MauguinCm [8] |
HallC 2y |
Point Groupm |
Crystal Systemmonoclinic |
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] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 200.5 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 267.3 |
GaN (mp-804) | <1 0 0> | <1 0 1> | 182.7 |
DyScO3 (mp-31120) | <0 1 1> | <0 1 0> | 107.2 |
DyScO3 (mp-31120) | <1 1 1> | <0 1 0> | 214.5 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 267.3 |
InAs (mp-20305) | <1 1 0> | <0 0 1> | 267.3 |
KTaO3 (mp-3614) | <1 0 0> | <1 0 0> | 245.4 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 245.4 |
LiF (mp-1138) | <1 1 0> | <0 1 0> | 214.5 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 66.8 |
Te2W (mp-22693) | <1 0 1> | <0 0 1> | 200.5 |
YVO4 (mp-19133) | <1 0 0> | <1 0 1> | 91.3 |
YVO4 (mp-19133) | <1 0 1> | <0 1 0> | 214.5 |
Te2Mo (mp-602) | <0 0 1> | <0 1 1> | 252.7 |
AlN (mp-661) | <0 0 1> | <1 0 0> | 306.7 |
AlN (mp-661) | <1 1 0> | <0 1 0> | 107.2 |
BaF2 (mp-1029) | <1 1 0> | <0 0 1> | 267.3 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 133.7 |
SiO2 (mp-6930) | <1 1 1> | <0 0 1> | 267.3 |
DyScO3 (mp-31120) | <0 0 1> | <0 1 1> | 126.4 |
BN (mp-984) | <0 0 1> | <1 0 0> | 245.4 |
BN (mp-984) | <1 0 0> | <1 0 0> | 306.7 |
BN (mp-984) | <1 1 1> | <1 0 0> | 306.7 |
Al (mp-134) | <1 0 0> | <1 0 0> | 245.4 |
SiC (mp-7631) | <0 0 1> | <0 0 1> | 66.8 |
SiC (mp-7631) | <1 0 0> | <1 0 1> | 91.3 |
MgO (mp-1265) | <1 0 0> | <1 0 0> | 184.0 |
MgO (mp-1265) | <1 1 0> | <1 0 1> | 182.7 |
TiO2 (mp-2657) | <1 0 0> | <1 0 1> | 274.0 |
TiO2 (mp-2657) | <1 0 1> | <0 0 1> | 200.5 |
TiO2 (mp-2657) | <1 1 1> | <0 0 1> | 267.3 |
C (mp-66) | <1 0 0> | <0 0 1> | 267.3 |
C (mp-66) | <1 1 0> | <0 1 0> | 107.2 |
GdScO3 (mp-5690) | <0 0 1> | <0 1 1> | 126.4 |
GdScO3 (mp-5690) | <0 1 1> | <0 1 0> | 107.2 |
GdScO3 (mp-5690) | <1 1 1> | <0 1 0> | 214.5 |
Mg (mp-153) | <1 0 0> | <0 0 1> | 66.8 |
LaF3 (mp-905) | <0 0 1> | <0 0 1> | 133.7 |
LaF3 (mp-905) | <1 1 0> | <0 0 1> | 267.3 |
PbS (mp-21276) | <1 0 0> | <1 0 1> | 182.7 |
PbS (mp-21276) | <1 1 0> | <0 0 1> | 267.3 |
TbScO3 (mp-31119) | <0 0 1> | <0 1 1> | 126.4 |
TbScO3 (mp-31119) | <0 1 1> | <0 1 0> | 107.2 |
TbScO3 (mp-31119) | <1 1 1> | <0 1 0> | 214.5 |
Ni (mp-23) | <1 1 0> | <1 0 0> | 306.7 |
Cu (mp-30) | <1 1 0> | <1 0 0> | 306.7 |
GaTe (mp-542812) | <1 0 0> | <0 0 1> | 133.7 |
PbSe (mp-2201) | <1 0 0> | <0 0 1> | 267.3 |
PbSe (mp-2201) | <1 1 0> | <0 0 1> | 267.3 |
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 |
---|---|---|---|
Li(FeO2)2 (mp-771571) | 0.2492 | 0.666 | 3 |
Ca(WO2)2 (mvc-6346) | 0.2460 | 0.665 | 3 |
Ca(MoO2)2 (mvc-6227) | 0.1919 | 0.228 | 3 |
Li9Mn15O32 (mp-769450) | 0.2549 | 0.866 | 3 |
LiFe5O8 (mp-706252) | 0.2492 | 0.645 | 3 |
Li4Mn5Cu3O16 (mp-761365) | 0.1636 | 0.058 | 4 |
Li4Fe5Sb3O16 (mp-770140) | 0.1358 | 0.040 | 4 |
Li4Fe5Co3O16 (mp-773387) | 0.1845 | 0.072 | 4 |
Li4Co3Sn5O16 (mp-772511) | 0.1779 | 0.026 | 4 |
Li4Co5Sb3O16 (mp-771118) | 0.1914 | 0.225 | 4 |
Fe3O4 (mp-715491) | 0.4327 | 0.017 | 2 |
Si3N4 (mp-641539) | 0.4356 | 0.288 | 2 |
Ge3N4 (mp-641541) | 0.4106 | 0.208 | 2 |
Cr3N4 (mp-1014358) | 0.4246 | 0.227 | 2 |
Fe3O4 (mp-650112) | 0.4036 | 0.060 | 2 |
Li4Mn2Co3Sb3O16 (mp-770842) | 0.1444 | 0.276 | 5 |
Li4Fe3Sn2Sb3O16 (mp-853353) | 0.0623 | 0.071 | 5 |
Li4V2Fe3Sb3O16 (mp-777892) | 0.1445 | 0.130 | 5 |
Li4Ni3Sn2Sb3O16 (mp-777148) | 0.0707 | 0.056 | 5 |
Li4Cu3Ni2Sb3O16 (mp-776853) | 0.1409 | 0.233 | 5 |
Li3MnFeCo(PO4)3 (mp-764809) | 0.7105 | 0.014 | 6 |
Li3MnFeCo(PO4)3 (mp-764869) | 0.7188 | 0.032 | 6 |
Li3MnFeCo(PO4)3 (mp-764707) | 0.7238 | 0.035 | 6 |
Li3MnFeCo(PO4)3 (mp-764969) | 0.7245 | 0.057 | 6 |
Li3MnFeCo(PO4)3 (mp-764870) | 0.7226 | 0.466 | 6 |
Run TypeGGA+U |
Energy Cutoff520 eV |
# of K-pointsNone |
U ValuesCo: 3.32 eV |
PseudopotentialsVASP PAW: Li_sv Co Sn_d Sb O |
Final Energy/Atom-5.9291 eV |
Corrected Energy-365.7457 eV
-365.7457 eV = -332.0284 eV (uncorrected energy) - 22.4733 eV (MP Anion Correction) - 11.2440 eV (MP Advanced 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)