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-3.250 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.028 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. |
Density1.77 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.439 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 MauguinCmcm [63] |
Hall-C 2c 2 |
Point Groupmmm |
Crystal Systemorthorhombic |
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] |
---|---|---|---|
CeO2 (mp-20194) | <1 0 0> | <0 1 1> | 179.3 |
GaP (mp-2490) | <1 1 0> | <0 1 0> | 214.1 |
BN (mp-984) | <1 0 0> | <0 1 0> | 214.1 |
LiGaO2 (mp-5854) | <1 1 0> | <0 0 1> | 143.8 |
TiO2 (mp-2657) | <1 0 0> | <0 1 1> | 179.3 |
LaF3 (mp-905) | <1 0 0> | <0 1 0> | 107.0 |
GaP (mp-2490) | <1 0 0> | <0 1 1> | 179.3 |
Si (mp-149) | <1 0 0> | <0 1 1> | 179.3 |
CdWO4 (mp-19387) | <1 0 1> | <0 1 1> | 179.3 |
Fe2O3 (mp-24972) | <1 0 0> | <0 1 0> | 214.1 |
Fe2O3 (mp-24972) | <1 0 1> | <0 1 0> | 214.1 |
CdWO4 (mp-19387) | <1 1 1> | <0 1 0> | 107.0 |
TiO2 (mp-390) | <0 0 1> | <0 0 1> | 143.8 |
LiAlO2 (mp-3427) | <1 1 0> | <0 0 1> | 143.8 |
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 |
---|---|---|---|
AlPO4 (mp-557362) | 0.3929 | 0.010 | 3 |
AlPO4 (mp-558056) | 0.3732 | 0.011 | 3 |
Be(PO3)2 (mp-560521) | 0.3942 | 0.003 | 3 |
AlPO4 (mp-667363) | 0.3800 | 0.014 | 3 |
AlPO4 (mp-1019510) | 0.3968 | 0.010 | 3 |
RbAlSiO4 (mp-6434) | 0.7425 | 0.000 | 4 |
CsAlSiO4 (mp-561457) | 0.6762 | 0.000 | 4 |
CsBePO4 (mp-15395) | 0.5493 | 0.000 | 4 |
SiO2 (mp-680204) | 0.1886 | 0.013 | 2 |
SiO2 (mp-554682) | 0.1838 | 0.011 | 2 |
CrN2 (mp-1096962) | 0.1849 | 0.370 | 2 |
CrN2 (mp-1096968) | 0.1804 | 0.360 | 2 |
CrN2 (mp-1096911) | 0.1894 | 0.362 | 2 |
Explore more synthesis descriptions for materials of composition SiO2.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Si O |
Final Energy/Atom-7.8879 eV |
Corrected Energy-451.2286 eV
-451.2286 eV = -425.9462 eV (uncorrected energy) - 25.2824 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)