Final Magnetic Moment12.992 μBCalculated total magnetic moment for the unit cell within the magnetic ordering provided (see below). Typically accurate to the second digit. |
Magnetic OrderingFM |
Formation Energy / Atom-1.799 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.101 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. |
Density5.34 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnTe3O8 + Mn2TeO6 + 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%)
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 206.6 |
AlN (mp-661) | <1 0 0> | <1 0 0> | 233.0 |
AlN (mp-661) | <1 0 1> | <1 0 0> | 291.3 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 116.5 |
BaF2 (mp-1029) | <1 1 0> | <1 0 1> | 274.1 |
KCl (mp-23193) | <1 0 0> | <1 0 0> | 116.5 |
KCl (mp-23193) | <1 1 0> | <1 0 0> | 58.3 |
KCl (mp-23193) | <1 1 1> | <1 0 0> | 291.3 |
DyScO3 (mp-31120) | <1 1 0> | <0 1 1> | 123.7 |
InAs (mp-20305) | <1 0 0> | <1 0 0> | 116.5 |
InAs (mp-20305) | <1 1 0> | <1 0 1> | 274.1 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 137.7 |
Te2W (mp-22693) | <0 0 1> | <1 0 0> | 174.8 |
Te2W (mp-22693) | <1 0 0> | <1 0 0> | 291.3 |
YVO4 (mp-19133) | <1 0 0> | <1 0 1> | 91.4 |
YVO4 (mp-19133) | <1 0 1> | <1 0 1> | 274.1 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 174.8 |
TePb (mp-19717) | <1 1 1> | <1 0 0> | 291.3 |
Te2Mo (mp-602) | <0 0 1> | <1 0 0> | 174.8 |
Te2Mo (mp-602) | <1 1 0> | <1 0 0> | 291.3 |
Ag (mp-124) | <1 0 0> | <1 0 0> | 174.8 |
BN (mp-984) | <0 0 1> | <0 0 1> | 206.6 |
LiNbO3 (mp-3731) | <0 0 1> | <1 0 0> | 291.3 |
Bi2Se3 (mp-541837) | <0 0 1> | <0 0 1> | 137.7 |
MoS2 (mp-1434) | <0 0 1> | <1 0 0> | 174.8 |
MoS2 (mp-1434) | <1 0 0> | <1 0 1> | 274.1 |
MoS2 (mp-1434) | <1 0 1> | <1 0 1> | 274.1 |
CdTe (mp-406) | <1 0 0> | <1 0 0> | 174.8 |
SiC (mp-7631) | <1 0 0> | <1 0 0> | 291.3 |
SiC (mp-7631) | <1 0 1> | <1 1 0> | 236.1 |
PbSe (mp-2201) | <1 0 0> | <1 0 0> | 116.5 |
PbSe (mp-2201) | <1 1 0> | <1 0 1> | 274.1 |
TiO2 (mp-2657) | <0 0 1> | <1 0 0> | 174.8 |
TiO2 (mp-2657) | <1 0 0> | <1 0 1> | 274.1 |
TiO2 (mp-2657) | <1 0 1> | <0 0 1> | 206.6 |
NdGaO3 (mp-3196) | <0 1 1> | <0 0 1> | 206.6 |
Ga2O3 (mp-886) | <1 0 -1> | <1 0 0> | 116.5 |
Ga2O3 (mp-886) | <1 0 0> | <0 0 1> | 275.5 |
C (mp-66) | <1 1 0> | <0 0 1> | 275.5 |
Au (mp-81) | <1 0 0> | <1 0 0> | 174.8 |
CdSe (mp-2691) | <1 1 0> | <1 0 1> | 274.1 |
WS2 (mp-224) | <1 0 1> | <1 0 0> | 291.3 |
Mg (mp-153) | <0 0 1> | <1 0 0> | 174.8 |
Mg (mp-153) | <1 0 0> | <1 0 1> | 182.8 |
KP(HO2)2 (mp-23959) | <1 1 0> | <0 0 1> | 137.7 |
LaF3 (mp-905) | <0 0 1> | <0 0 1> | 137.7 |
LaF3 (mp-905) | <1 1 0> | <0 0 1> | 275.5 |
Ni (mp-23) | <1 0 0> | <1 0 0> | 291.3 |
InSb (mp-20012) | <1 0 0> | <1 0 0> | 174.8 |
YAlO3 (mp-3792) | <0 1 0> | <1 0 0> | 116.5 |
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.
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material | dissimilarity | Ehull | # of elements |
---|---|---|---|
Mn3TeO8 (mp-771471) | 0.3121 | 0.066 | 3 |
NbV3O8 (mp-771572) | 0.2963 | 0.303 | 3 |
Cr3TeO8 (mp-770187) | 0.3413 | 0.251 | 3 |
Cr3SbO8 (mp-773170) | 0.3052 | 0.114 | 3 |
Cr3Co5O16 (mp-771924) | 0.3246 | 0.091 | 3 |
Mn3Fe3(TeO8)2 (mp-775968) | 0.2112 | 0.089 | 4 |
Ti3Cu3(TeO8)2 (mp-760579) | 0.2160 | 0.087 | 4 |
Ti3Co3(TeO8)2 (mp-761356) | 0.2114 | 0.101 | 4 |
Co3Ni3(TeO8)2 (mp-851314) | 0.2239 | 0.089 | 4 |
Cr3Fe3(TeO8)2 (mp-763448) | 0.1857 | 0.181 | 4 |
BiO2 (mvc-5760) | 0.3984 | 0.079 | 2 |
BiO2 (mvc-15392) | 0.4567 | 0.090 | 2 |
VO2 (mp-715553) | 0.3535 | 0.072 | 2 |
TiO2 (mp-756587) | 0.4330 | 0.112 | 2 |
CoO2 (mp-769849) | 0.4681 | 0.068 | 2 |
Run TypeGGA+U |
Energy Cutoff520 eV |
# of K-pointsNone |
U ValuesMn: 3.9 eV |
PseudopotentialsVASP PAW: Mn_pv Sn_d Te O |
Final Energy/Atom-6.3275 eV |
Corrected Energy-168.1394 eV
-168.1394 eV = -151.8602 eV (uncorrected energy) - 11.2366 eV (MP Anion Correction) - 5.0426 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)