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-2.620 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.658 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. |
Density2.43 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToSiO2 |
Band Gap0.875 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 MauguinPcca [54] |
Hall-P 2a 2ac |
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) | <0 0 1> | <0 1 0> | 184.5 |
AlN (mp-661) | <0 0 1> | <0 1 1> | 228.3 |
AlN (mp-661) | <1 0 0> | <1 1 0> | 250.6 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 268.9 |
AlN (mp-661) | <1 1 0> | <0 1 0> | 322.9 |
AlN (mp-661) | <1 1 1> | <1 0 1> | 231.9 |
CeO2 (mp-20194) | <1 0 0> | <1 0 1> | 231.9 |
SiO2 (mp-6930) | <1 0 0> | <0 1 0> | 322.9 |
SiO2 (mp-6930) | <1 0 1> | <0 1 0> | 138.4 |
SiO2 (mp-6930) | <1 1 0> | <0 0 1> | 336.1 |
DyScO3 (mp-31120) | <0 0 1> | <0 1 1> | 285.4 |
ZnSe (mp-1190) | <1 1 0> | <1 0 0> | 139.2 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 302.5 |
CdS (mp-672) | <1 0 0> | <0 1 0> | 322.9 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 100.8 |
LiF (mp-1138) | <1 1 1> | <0 1 0> | 230.6 |
YVO4 (mp-19133) | <1 0 1> | <0 0 1> | 67.2 |
TePb (mp-19717) | <1 1 0> | <0 1 0> | 184.5 |
TePb (mp-19717) | <1 1 1> | <0 1 1> | 228.3 |
Te2Mo (mp-602) | <0 0 1> | <0 1 1> | 228.3 |
BN (mp-984) | <1 0 0> | <0 1 0> | 230.6 |
BN (mp-984) | <1 0 1> | <0 0 1> | 235.3 |
LiNbO3 (mp-3731) | <1 0 1> | <0 1 0> | 322.9 |
Al (mp-134) | <1 0 0> | <1 0 0> | 278.5 |
Al (mp-134) | <1 1 1> | <0 0 1> | 302.5 |
SiC (mp-7631) | <0 0 1> | <1 0 1> | 231.9 |
LiTaO3 (mp-3666) | <1 0 0> | <0 0 1> | 302.5 |
MgO (mp-1265) | <1 1 0> | <1 1 0> | 250.6 |
TiO2 (mp-2657) | <1 0 0> | <0 1 0> | 138.4 |
TiO2 (mp-2657) | <1 1 0> | <0 0 1> | 235.3 |
C (mp-66) | <1 0 0> | <1 0 1> | 77.3 |
C (mp-66) | <1 1 0> | <0 1 1> | 285.4 |
GdScO3 (mp-5690) | <1 0 1> | <1 1 0> | 167.0 |
Mg (mp-153) | <0 0 1> | <0 1 0> | 184.5 |
Mg (mp-153) | <1 0 0> | <0 1 0> | 322.9 |
Mg (mp-153) | <1 0 1> | <0 1 0> | 230.6 |
GaAs (mp-2534) | <1 1 0> | <1 0 0> | 139.2 |
BaF2 (mp-1029) | <1 0 0> | <0 0 1> | 201.7 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 100.8 |
GaN (mp-804) | <1 0 0> | <0 1 0> | 322.9 |
GaN (mp-804) | <1 0 1> | <0 1 0> | 230.6 |
GaN (mp-804) | <1 1 0> | <1 0 1> | 231.9 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 201.7 |
DyScO3 (mp-31120) | <0 1 1> | <1 0 0> | 208.9 |
DyScO3 (mp-31120) | <1 0 1> | <1 1 0> | 167.0 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 201.7 |
KTaO3 (mp-3614) | <1 0 0> | <0 1 1> | 285.4 |
KTaO3 (mp-3614) | <1 1 0> | <1 0 0> | 69.6 |
KTaO3 (mp-3614) | <1 1 1> | <0 0 1> | 302.5 |
CdS (mp-672) | <1 0 1> | <0 1 1> | 285.4 |
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 |
---|---|---|---|
HgBrN (mp-1063495) | 0.6485 | 1.149 | 3 |
SiO2 (mp-638033) | 0.2897 | 0.700 | 2 |
SiO2 (mp-545488) | 0.2232 | 0.698 | 2 |
SiO2 (mp-556027) | 0.3562 | 0.524 | 2 |
CeSe2 (mp-1098704) | 0.3814 | 0.589 | 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-7.2586 eV |
Corrected Energy-185.4429 eV
-185.4429 eV = -174.2062 eV (uncorrected energy) - 11.2366 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)