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-3.228 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.050 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. |
Density2.01 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.153 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 MauguinPnnm [58] |
Hall-P 2 2n |
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] |
---|---|---|---|
LaAlO3 (mp-2920) | <1 0 0> | <0 0 1> | 290.7 |
LaAlO3 (mp-2920) | <1 0 1> | <1 0 0> | 235.8 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 332.2 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 124.6 |
AlN (mp-661) | <1 0 1> | <0 1 1> | 247.7 |
AlN (mp-661) | <1 1 0> | <0 1 1> | 82.6 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 207.7 |
GaAs (mp-2534) | <1 1 0> | <1 1 0> | 137.8 |
GaAs (mp-2534) | <1 1 1> | <1 0 0> | 117.9 |
BaF2 (mp-1029) | <1 1 0> | <0 1 0> | 214.1 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 124.6 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 207.7 |
SiO2 (mp-6930) | <0 0 1> | <0 1 0> | 214.1 |
SiO2 (mp-6930) | <1 0 0> | <0 1 1> | 82.6 |
DyScO3 (mp-31120) | <0 0 1> | <0 1 0> | 285.5 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 207.7 |
ZnSe (mp-1190) | <1 1 0> | <1 1 0> | 137.8 |
KTaO3 (mp-3614) | <1 1 0> | <1 1 0> | 137.8 |
KTaO3 (mp-3614) | <1 1 1> | <0 1 0> | 142.7 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 290.7 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 290.7 |
SiO2 (mp-6930) | <1 0 1> | <0 1 0> | 71.4 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 332.2 |
LiF (mp-1138) | <1 1 0> | <0 0 1> | 290.7 |
LiF (mp-1138) | <1 1 1> | <0 1 0> | 142.7 |
Te2W (mp-22693) | <1 0 1> | <0 0 1> | 207.7 |
DyScO3 (mp-31120) | <0 1 1> | <0 1 1> | 165.1 |
InAs (mp-20305) | <1 1 0> | <0 1 0> | 214.1 |
ZnSe (mp-1190) | <1 1 1> | <1 0 0> | 117.9 |
YVO4 (mp-19133) | <1 0 1> | <1 1 0> | 137.8 |
TePb (mp-19717) | <1 1 1> | <1 0 0> | 235.8 |
Ag (mp-124) | <1 1 0> | <0 0 1> | 290.7 |
Ag (mp-124) | <1 1 1> | <0 0 1> | 332.2 |
LiF (mp-1138) | <1 0 0> | <0 1 0> | 285.5 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 332.2 |
Te2W (mp-22693) | <0 1 0> | <0 1 0> | 214.1 |
Te2W (mp-22693) | <0 1 1> | <0 0 1> | 290.7 |
Te2W (mp-22693) | <1 1 0> | <0 1 0> | 214.1 |
BN (mp-984) | <0 0 1> | <1 0 0> | 235.8 |
BN (mp-984) | <1 0 0> | <0 0 1> | 332.2 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 249.2 |
Te2Mo (mp-602) | <1 0 0> | <0 1 0> | 214.1 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 207.7 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 124.6 |
MoS2 (mp-1434) | <1 0 0> | <0 0 1> | 207.7 |
Al (mp-134) | <1 1 1> | <0 1 0> | 142.7 |
LiGaO2 (mp-5854) | <0 0 1> | <0 1 1> | 82.6 |
LiGaO2 (mp-5854) | <1 0 0> | <0 0 1> | 207.7 |
BN (mp-984) | <1 1 1> | <0 0 1> | 249.2 |
SiC (mp-7631) | <1 1 0> | <1 0 1> | 250.0 |
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 |
---|---|---|---|
VBO4 (mp-771386) | 0.5422 | 0.068 | 3 |
AlPO4 (mp-558088) | 0.5529 | 0.025 | 3 |
AlPO4 (mp-560815) | 0.4500 | 0.030 | 3 |
Be(PO3)2 (mp-560521) | 0.5347 | 0.003 | 3 |
AlPO4 (mp-667310) | 0.5034 | 0.022 | 3 |
RbAlSiO4 (mp-6434) | 0.6120 | 0.000 | 4 |
CsSi3HO7 (mp-758180) | 0.5346 | 0.002 | 4 |
CsSi2HO5 (mp-557780) | 0.5615 | 0.005 | 4 |
CsFeSiO4 (mp-644325) | 0.6422 | 0.000 | 4 |
KBePO4 (mp-7324) | 0.5951 | 0.000 | 4 |
Si2O5 (mp-862998) | 0.3488 | 0.593 | 2 |
SiO2 (mp-600049) | 0.3901 | 0.033 | 2 |
CrN2 (mp-1096888) | 0.3721 | 0.435 | 2 |
CeSe2 (mp-1094152) | 0.3178 | 0.527 | 2 |
SiO2 (mp-615993) | 0.3827 | 0.012 | 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-7.8667 eV |
Corrected Energy-300.0574 eV
-300.0574 eV = -283.2024 eV (uncorrected energy) - 16.8550 eV (MP Anion Correction)
|
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)