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-3.268 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.010 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. |
Density1.75 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap5.391 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%)
Select an element to display a spectrum averaged over all sites of that element in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
AlN (mp-661) | <1 1 1> | <1 0 0> | 283.4 |
BaF2 (mp-1029) | <1 1 0> | <0 1 0> | 174.8 |
KCl (mp-23193) | <1 1 0> | <0 1 0> | 174.8 |
KCl (mp-23193) | <1 1 1> | <1 0 0> | 283.4 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 201.2 |
YVO4 (mp-19133) | <1 1 0> | <0 0 1> | 201.2 |
TePb (mp-19717) | <1 1 0> | <0 1 0> | 174.8 |
Ag (mp-124) | <1 0 0> | <1 1 0> | 257.4 |
BN (mp-984) | <0 0 1> | <1 0 0> | 283.4 |
LiNbO3 (mp-3731) | <0 0 1> | <1 0 0> | 94.5 |
LiNbO3 (mp-3731) | <1 1 1> | <0 1 0> | 262.1 |
MoS2 (mp-1434) | <1 0 0> | <0 0 1> | 201.2 |
LaAlO3 (mp-2920) | <1 1 0> | <0 1 0> | 262.1 |
LaAlO3 (mp-2920) | <1 1 1> | <0 1 0> | 262.1 |
BaF2 (mp-1029) | <1 1 1> | <1 0 0> | 283.4 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 100.6 |
GaN (mp-804) | <1 1 0> | <0 1 1> | 266.5 |
DyScO3 (mp-31120) | <0 1 1> | <0 1 0> | 262.1 |
TePb (mp-19717) | <1 1 1> | <1 0 0> | 283.4 |
Ag (mp-124) | <1 1 0> | <0 1 1> | 266.5 |
LiNbO3 (mp-3731) | <1 1 0> | <1 1 0> | 128.7 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 201.2 |
SiC (mp-11714) | <0 0 1> | <1 0 0> | 283.4 |
SiC (mp-11714) | <1 0 0> | <1 0 0> | 94.5 |
SiC (mp-11714) | <1 1 0> | <1 0 0> | 283.4 |
LiGaO2 (mp-5854) | <0 0 1> | <1 0 0> | 283.4 |
LiGaO2 (mp-5854) | <1 1 1> | <1 0 0> | 283.4 |
CdTe (mp-406) | <1 1 0> | <0 1 0> | 262.1 |
CdSe (mp-2691) | <1 1 0> | <1 0 0> | 283.4 |
WS2 (mp-224) | <0 0 1> | <0 0 1> | 201.2 |
TeO2 (mp-2125) | <0 1 0> | <1 0 0> | 283.4 |
TeO2 (mp-2125) | <1 0 0> | <1 0 0> | 283.4 |
SiC (mp-7631) | <0 0 1> | <1 0 0> | 283.4 |
ZrO2 (mp-2858) | <1 0 -1> | <1 0 0> | 283.4 |
LiTaO3 (mp-3666) | <0 0 1> | <1 0 0> | 94.5 |
LiTaO3 (mp-3666) | <1 0 0> | <1 0 0> | 283.4 |
LiTaO3 (mp-3666) | <1 1 0> | <1 1 0> | 128.7 |
LiTaO3 (mp-3666) | <1 1 1> | <0 1 0> | 262.1 |
YAlO3 (mp-3792) | <0 0 1> | <1 0 0> | 283.4 |
YAlO3 (mp-3792) | <0 1 1> | <1 0 0> | 94.5 |
YAlO3 (mp-3792) | <1 1 1> | <1 0 0> | 188.9 |
TiO2 (mp-2657) | <0 0 1> | <1 1 0> | 128.7 |
TiO2 (mp-2657) | <1 1 0> | <0 1 0> | 174.8 |
CdWO4 (mp-19387) | <1 1 1> | <0 1 0> | 262.1 |
GdScO3 (mp-5690) | <0 1 1> | <0 1 0> | 262.1 |
TiO2 (mp-390) | <1 0 0> | <0 1 0> | 262.1 |
TiO2 (mp-390) | <1 0 1> | <0 0 1> | 201.2 |
TiO2 (mp-390) | <1 1 0> | <0 1 0> | 262.1 |
CsI (mp-614603) | <1 1 0> | <0 1 1> | 266.5 |
Mg (mp-153) | <0 0 1> | <0 0 1> | 201.2 |
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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Dielectric Tensor εij∞ (electronic contribution) |
||
---|---|---|
1.93 | 0.00 | 0.00 |
0.00 | 1.96 | 0.00 |
0.00 | 0.00 | 1.98 |
Dielectric Tensor εij (total) |
||
---|---|---|
3.23 | 0.00 | 0.00 |
0.00 | 3.41 | 0.00 |
0.00 | 0.00 | 3.47 |
Polycrystalline dielectric constant
εpoly∞
1.95
|
Polycrystalline dielectric constant
εpoly
3.37
|
Refractive Index n1.40 |
Potentially ferroelectric?Unknown |
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
AlPO4 (mp-5724) | 0.4013 | 0.003 | 3 |
AlPO4 (mp-5859) | 0.3540 | 0.011 | 3 |
AlPO4 (mp-37990) | 0.3466 | 0.014 | 3 |
AlPO4 (mp-557842) | 0.3433 | 0.011 | 3 |
AlPO4 (mp-675254) | 0.3758 | 0.012 | 3 |
CsAlSiO4 (mp-561457) | 0.7012 | 0.000 | 4 |
CsBePO4 (mp-15395) | 0.5601 | 0.000 | 4 |
CrN2 (mp-1016058) | 0.1440 | 0.353 | 2 |
SiO2 (mp-600005) | 0.1342 | 0.016 | 2 |
SiO2 (mp-600000) | 0.1077 | 0.010 | 2 |
SiO2 (mp-600041) | 0.1308 | 0.013 | 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-7.9061 eV |
Corrected Energy-200.9832 eV
-200.9832 eV = -189.7466 eV (uncorrected energy) - 11.2366 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)