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-2.125 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.138 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. |
Density5.37 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSnO2 + Mg2SnO4 + Sn5O6 |
Band Gap1.338 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%)
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
AlN (mp-661) | <1 0 1> | <0 0 1> | 70.7 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 283.0 |
BaF2 (mp-1029) | <1 1 0> | <0 0 1> | 283.0 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 283.0 |
KCl (mp-23193) | <1 1 0> | <0 0 1> | 283.0 |
DyScO3 (mp-31120) | <0 1 1> | <0 0 1> | 212.2 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 212.2 |
CdS (mp-672) | <1 0 0> | <1 0 1> | 262.4 |
Te2W (mp-22693) | <0 0 1> | <1 0 0> | 108.9 |
YVO4 (mp-19133) | <1 0 0> | <0 0 1> | 141.5 |
YVO4 (mp-19133) | <1 1 0> | <1 0 1> | 131.2 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 212.2 |
Te2Mo (mp-602) | <0 0 1> | <0 0 1> | 141.5 |
Ag (mp-124) | <1 0 0> | <1 0 1> | 262.4 |
BN (mp-984) | <1 0 0> | <0 0 1> | 212.2 |
Bi2Se3 (mp-541837) | <0 0 1> | <0 0 1> | 212.2 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 70.7 |
LiGaO2 (mp-5854) | <0 1 0> | <1 0 1> | 131.2 |
LiGaO2 (mp-5854) | <1 0 0> | <0 0 1> | 70.7 |
LiGaO2 (mp-5854) | <1 1 0> | <0 0 1> | 141.5 |
TiO2 (mp-2657) | <0 0 1> | <0 0 1> | 212.2 |
TiO2 (mp-2657) | <1 0 0> | <1 0 1> | 262.4 |
TiO2 (mp-2657) | <1 0 1> | <0 0 1> | 212.2 |
C (mp-66) | <1 1 0> | <1 0 0> | 108.9 |
PbSe (mp-2201) | <1 0 0> | <0 0 1> | 283.0 |
PbSe (mp-2201) | <1 1 0> | <0 0 1> | 283.0 |
NdGaO3 (mp-3196) | <0 1 1> | <0 0 1> | 212.2 |
NdGaO3 (mp-3196) | <1 0 1> | <0 0 1> | 212.2 |
SiC (mp-11714) | <1 0 1> | <1 0 1> | 131.2 |
CdSe (mp-2691) | <1 0 0> | <0 0 1> | 283.0 |
CdSe (mp-2691) | <1 1 0> | <1 0 0> | 108.9 |
Mg (mp-153) | <0 0 1> | <0 0 1> | 70.7 |
LaF3 (mp-905) | <0 0 1> | <0 0 1> | 141.5 |
LaF3 (mp-905) | <1 1 0> | <0 0 1> | 283.0 |
BaTiO3 (mp-5986) | <1 1 0> | <1 0 0> | 217.8 |
Au (mp-81) | <1 0 0> | <1 0 1> | 262.4 |
WS2 (mp-224) | <0 0 1> | <0 0 1> | 70.7 |
C (mp-48) | <0 0 1> | <0 0 1> | 141.5 |
SiC (mp-8062) | <1 0 0> | <0 0 1> | 283.0 |
SiC (mp-8062) | <1 1 0> | <1 0 0> | 108.9 |
CdWO4 (mp-19387) | <1 1 0> | <0 0 1> | 283.0 |
TiO2 (mp-390) | <1 1 0> | <0 0 1> | 212.2 |
CsI (mp-614603) | <1 1 1> | <0 0 1> | 212.2 |
MgF2 (mp-1249) | <1 0 1> | <0 0 1> | 212.2 |
ZnO (mp-2133) | <1 0 1> | <0 0 1> | 141.5 |
GaSb (mp-1156) | <1 0 0> | <0 0 1> | 283.0 |
GaSb (mp-1156) | <1 1 0> | <1 0 0> | 108.9 |
SrTiO3 (mp-4651) | <1 0 1> | <0 0 1> | 212.2 |
Cu (mp-30) | <1 1 0> | <0 0 1> | 283.0 |
GaTe (mp-542812) | <1 0 0> | <0 0 1> | 141.5 |
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 |
---|---|---|---|
Zn(SnO2)2 (mvc-5313) | 0.2053 | 0.134 | 3 |
Ca(SnO2)2 (mvc-5214) | 0.3433 | 0.101 | 3 |
Mg(SnO2)2 (mvc-5088) | 0.2530 | 0.146 | 3 |
Na7Ti11O24 (mp-759333) | 0.3173 | 0.018 | 3 |
Mg(SnO2)2 (mvc-9750) | 0.3342 | 0.242 | 3 |
Li6Fe3Co3O16 (mp-772702) | 0.3480 | 0.092 | 4 |
Li4Mn5Nb3O16 (mp-773388) | 0.3447 | 0.724 | 4 |
Li4Mn5Sb3O16 (mp-769848) | 0.3456 | 0.112 | 4 |
Li4Fe3Sb5O16 (mp-769870) | 0.3558 | 0.046 | 4 |
Li4Ti3Sn5O16 (mp-754822) | 0.3581 | 0.102 | 4 |
Si3N4 (mp-641539) | 0.5537 | 0.288 | 2 |
Ge3N4 (mp-641541) | 0.5162 | 0.208 | 2 |
NiP4 (mp-769108) | 0.6197 | 0.078 | 2 |
Fe3O4 (mp-542433) | 0.6326 | 0.075 | 2 |
Fe3O4 (mp-650112) | 0.6070 | 0.060 | 2 |
Li4V3Cu3(SbO8)2 (mp-771539) | 0.2982 | 0.078 | 5 |
Li4Mn3Nb2Cu3O16 (mp-771452) | 0.3114 | 0.062 | 5 |
Li4Co3Cu3(TeO8)2 (mp-766631) | 0.3150 | 0.022 | 5 |
Li4Ti3Co3(TeO8)2 (mp-765522) | 0.2917 | 0.042 | 5 |
Li4Co3Cu3(WO8)2 (mp-763112) | 0.2984 | 0.068 | 5 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Mg_pv Sn_d O |
Final Energy/Atom-5.9252 eV |
Corrected Energy-265.7147 eV
-265.7147 eV = -248.8598 eV (uncorrected energy) - 16.8550 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)