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-3.262 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.016 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. |
Density1.87 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.618 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 MauguinI41/amd [141] |
HallI 4bw 2bw 1bw |
Point Group4/mmm |
Crystal Systemtetragonal |
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 1> | <0 0 1> | 308.6 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 308.6 |
DyScO3 (mp-31120) | <0 1 0> | <0 0 1> | 308.6 |
DyScO3 (mp-31120) | <1 1 0> | <0 0 1> | 61.7 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 308.6 |
LaAlO3 (mp-2920) | <0 0 1> | <0 0 1> | 308.6 |
CeO2 (mp-20194) | <1 0 0> | <0 0 1> | 61.7 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 308.6 |
CeO2 (mp-20194) | <1 1 1> | <0 0 1> | 308.6 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 308.6 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 308.6 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 246.9 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 308.6 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 308.6 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 246.9 |
Ag (mp-124) | <1 0 0> | <0 0 1> | 308.6 |
Bi2Te3 (mp-34202) | <0 0 1> | <0 0 1> | 308.6 |
BN (mp-984) | <1 0 0> | <0 0 1> | 308.6 |
BN (mp-984) | <1 1 0> | <0 0 1> | 308.6 |
BN (mp-984) | <1 1 1> | <0 0 1> | 246.9 |
LiGaO2 (mp-5854) | <1 0 1> | <0 0 1> | 185.2 |
TeO2 (mp-2125) | <0 1 1> | <0 0 1> | 308.6 |
SiC (mp-7631) | <1 0 1> | <0 0 1> | 246.9 |
Fe3O4 (mp-19306) | <1 0 0> | <0 0 1> | 308.6 |
MgO (mp-1265) | <1 0 0> | <0 0 1> | 308.6 |
TiO2 (mp-2657) | <1 0 1> | <0 0 1> | 308.6 |
GdScO3 (mp-5690) | <0 1 0> | <0 0 1> | 308.6 |
GdScO3 (mp-5690) | <1 0 0> | <0 0 1> | 185.2 |
GdScO3 (mp-5690) | <1 1 0> | <0 0 1> | 61.7 |
Mg (mp-153) | <1 0 0> | <0 0 1> | 246.9 |
PbS (mp-21276) | <1 0 0> | <0 0 1> | 308.6 |
GaP (mp-2490) | <1 0 0> | <0 0 1> | 61.7 |
GaP (mp-2490) | <1 1 0> | <0 0 1> | 308.6 |
InP (mp-20351) | <1 0 0> | <0 0 1> | 308.6 |
TbScO3 (mp-31119) | <0 1 0> | <0 0 1> | 308.6 |
TbScO3 (mp-31119) | <1 0 0> | <0 0 1> | 185.2 |
TbScO3 (mp-31119) | <1 1 0> | <0 0 1> | 61.7 |
Ni (mp-23) | <1 0 0> | <0 0 1> | 61.7 |
PbSe (mp-2201) | <1 0 0> | <0 0 1> | 308.6 |
BaTiO3 (mp-5986) | <1 0 1> | <0 0 1> | 185.2 |
BaTiO3 (mp-5986) | <1 1 0> | <0 0 1> | 185.2 |
NdGaO3 (mp-3196) | <0 1 0> | <0 0 1> | 308.6 |
NdGaO3 (mp-3196) | <1 0 0> | <0 0 1> | 308.6 |
NdGaO3 (mp-3196) | <1 0 1> | <0 0 1> | 308.6 |
NdGaO3 (mp-3196) | <1 1 0> | <0 0 1> | 61.7 |
Si (mp-149) | <1 0 0> | <0 0 1> | 61.7 |
Si (mp-149) | <1 1 0> | <0 0 1> | 308.6 |
Au (mp-81) | <1 0 0> | <0 0 1> | 308.6 |
CdSe (mp-2691) | <1 0 0> | <0 0 1> | 308.6 |
DyScO3 (mp-31120) | <1 0 0> | <0 0 1> | 185.2 |
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 |
---|---|---|---|
AlPO4 (mp-5440) | 0.4357 | 0.012 | 3 |
AlPO4 (mp-557362) | 0.4443 | 0.010 | 3 |
AlPO4 (mp-558056) | 0.3956 | 0.011 | 3 |
Be(PO3)2 (mp-560521) | 0.4198 | 0.003 | 3 |
AlPO4 (mp-1019510) | 0.3875 | 0.010 | 3 |
RbAlSiO4 (mp-6434) | 0.6172 | 0.000 | 4 |
CsAlSiO4 (mp-561457) | 0.6398 | 0.000 | 4 |
CsSi2HO5 (mp-557780) | 0.6523 | 0.005 | 4 |
KBePO4 (mp-7324) | 0.6415 | 0.000 | 4 |
CsBePO4 (mp-15395) | 0.6371 | 0.000 | 4 |
SiO2 (mp-600111) | 0.1967 | 0.019 | 2 |
SiO2 (mp-560155) | 0.2179 | 0.020 | 2 |
SiO2 (mp-667383) | 0.2003 | 0.008 | 2 |
SiO2 (mp-667368) | 0.2142 | 0.012 | 2 |
CeSe2 (mp-1080854) | 0.2041 | 0.522 | 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-7.8999 eV |
Corrected Energy-401.6667 eV
-401.6667 eV = -379.1934 eV (uncorrected energy) - 22.4733 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)