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-3.261 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.017 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. |
Density1.72 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.671 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 MauguinPbcm [57] |
Hall-P 2c 2b |
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] |
---|---|---|---|
SiO2 (mp-6930) | <1 0 1> | <0 1 0> | 242.9 |
KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 210.2 |
LiF (mp-1138) | <1 1 0> | <0 0 1> | 210.2 |
Te2W (mp-22693) | <0 1 0> | <0 0 1> | 105.1 |
Te2Mo (mp-602) | <1 0 0> | <0 0 1> | 105.1 |
Al (mp-134) | <1 1 0> | <0 0 1> | 210.2 |
KP(HO2)2 (mp-23959) | <0 1 1> | <0 0 1> | 105.1 |
Ni (mp-23) | <1 1 0> | <0 0 1> | 105.1 |
Fe2O3 (mp-24972) | <1 0 0> | <0 0 1> | 210.2 |
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 |
---|---|---|---|
CoSiO4 (mp-633897) | 0.3640 | 0.356 | 3 |
BeCrO4 (mp-770887) | 0.4017 | 0.011 | 3 |
Be(PO3)2 (mp-27588) | 0.3988 | 0.000 | 3 |
AlPO4 (mp-557757) | 0.3199 | 0.015 | 3 |
AlPO4 (mp-683883) | 0.3198 | 0.018 | 3 |
CsBeAsO4 (mp-9113) | 0.5733 | 0.000 | 4 |
CsSi3HO7 (mp-758180) | 0.6002 | 0.002 | 4 |
KAlSi3O8 (mp-697670) | 0.5971 | 0.000 | 4 |
Cs2MgSi5O12 (mp-1019610) | 0.6043 | 0.000 | 4 |
Rb2MgSi5O12 (mp-1020860) | 0.6565 | 0.000 | 4 |
SiO2 (mp-639480) | 0.2489 | 0.023 | 2 |
SiO2 (mp-600057) | 0.1608 | 0.018 | 2 |
SiO2 (mp-600059) | 0.1467 | 0.011 | 2 |
SiO2 (mp-600067) | 0.2666 | 0.028 | 2 |
SiO2 (mp-600049) | 0.2695 | 0.033 | 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-7.8989 eV |
Corrected Energy-803.2372 eV
-803.2372 eV = -758.2907 eV (uncorrected energy) - 44.9466 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)