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-2.245 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.212 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. |
Density5.56 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToZn2SiO4 |
Band Gap2.249 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 MauguinPbca [61] |
Hall-P 2ac 2ab |
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%)
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
C (mp-48) | <0 0 1> | <0 0 1> | 127.7 |
C (mp-48) | <1 0 0> | <0 0 1> | 76.6 |
C (mp-48) | <1 0 1> | <1 1 0> | 298.3 |
C (mp-48) | <1 1 0> | <0 0 1> | 332.0 |
C (mp-48) | <1 1 1> | <1 0 1> | 295.5 |
AlN (mp-661) | <0 0 1> | <1 1 1> | 236.4 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 76.6 |
AlN (mp-661) | <1 0 1> | <1 0 1> | 177.3 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 255.4 |
AlN (mp-661) | <1 1 1> | <1 1 0> | 223.7 |
GaAs (mp-2534) | <1 0 0> | <1 1 0> | 298.3 |
GaAs (mp-2534) | <1 1 0> | <0 1 1> | 290.3 |
GaAs (mp-2534) | <1 1 1> | <1 1 0> | 298.3 |
BaF2 (mp-1029) | <1 1 0> | <0 0 1> | 229.8 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 127.7 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 229.8 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 280.9 |
KCl (mp-23193) | <1 1 0> | <0 0 1> | 229.8 |
CdWO4 (mp-19387) | <0 0 1> | <0 0 1> | 153.2 |
CdWO4 (mp-19387) | <1 0 0> | <0 0 1> | 153.2 |
CdWO4 (mp-19387) | <1 0 1> | <0 1 0> | 312.8 |
DyScO3 (mp-31120) | <1 1 0> | <0 0 1> | 127.7 |
Te2Mo (mp-602) | <0 0 1> | <1 0 1> | 177.3 |
Te2Mo (mp-602) | <1 0 0> | <1 1 0> | 223.7 |
Te2Mo (mp-602) | <1 0 1> | <1 1 0> | 223.7 |
ZnSe (mp-1190) | <1 0 0> | <1 1 0> | 298.3 |
ZnSe (mp-1190) | <1 1 0> | <0 1 1> | 290.3 |
ZnSe (mp-1190) | <1 1 1> | <1 1 0> | 298.3 |
Ni (mp-23) | <1 0 0> | <0 0 1> | 25.5 |
Ni (mp-23) | <1 1 0> | <0 0 1> | 51.1 |
Ni (mp-23) | <1 1 1> | <0 0 1> | 127.7 |
Bi2Te3 (mp-34202) | <0 0 1> | <0 0 1> | 280.9 |
KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 204.3 |
KTaO3 (mp-3614) | <1 1 1> | <0 0 1> | 204.3 |
GaSe (mp-1943) | <0 0 1> | <0 0 1> | 255.4 |
GaSe (mp-1943) | <1 0 1> | <0 0 1> | 204.3 |
InP (mp-20351) | <1 1 0> | <1 1 0> | 149.1 |
InP (mp-20351) | <1 1 1> | <1 1 0> | 298.3 |
Te2W (mp-22693) | <0 0 1> | <1 0 1> | 177.3 |
Te2W (mp-22693) | <0 1 0> | <1 1 0> | 223.7 |
Te2W (mp-22693) | <0 1 1> | <1 1 1> | 236.4 |
Te2W (mp-22693) | <1 1 0> | <1 1 0> | 223.7 |
BN (mp-984) | <0 0 1> | <0 1 1> | 174.2 |
BN (mp-984) | <1 0 0> | <0 0 1> | 76.6 |
BN (mp-984) | <1 0 1> | <0 1 0> | 156.4 |
Bi2Se3 (mp-541837) | <0 0 1> | <0 0 1> | 280.9 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 255.4 |
Al (mp-134) | <1 1 0> | <0 0 1> | 204.3 |
Al (mp-134) | <1 1 1> | <0 0 1> | 204.3 |
LiGaO2 (mp-5854) | <0 0 1> | <1 1 0> | 223.7 |
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 |
---|---|---|---|
Ca2CeO4 (mp-770977) | 0.4080 | 0.065 | 3 |
Ca2HfO4 (mp-752396) | 0.3282 | 0.025 | 3 |
Ca2RuO4 (mp-21466) | 0.3596 | 0.024 | 3 |
Na2UO4 (mp-17560) | 0.3225 | 0.009 | 3 |
Ca2RuO4 (mp-561910) | 0.3590 | 0.024 | 3 |
Li3Nb4SnO12 (mp-753319) | 0.4922 | 0.089 | 4 |
Li4Co4(OF3)3 (mp-780032) | 0.4888 | 0.103 | 4 |
Ca2AgWO6 (mvc-5942) | 0.4468 | 0.086 | 4 |
NaSm2IrO6 (mp-12323) | 0.4942 | 0.024 | 4 |
Ca2MnWO6 (mvc-12168) | 0.4853 | 0.022 | 4 |
Pb3O4 (mp-636813) | 0.5119 | 0.038 | 2 |
Sr4N3 (mp-685023) | 0.5876 | 0.191 | 2 |
Cd3N2 (mp-569957) | 0.5328 | 0.397 | 2 |
Mn2O3 (mp-565203) | 0.5539 | 0.000 | 2 |
MoP4 (mp-11508) | 0.5753 | 0.000 | 2 |
Li4Fe2TeWO12 (mp-768021) | 0.5235 | 0.083 | 5 |
CaLaTaCrO6 (mvc-10008) | 0.4994 | 0.035 | 5 |
LaMgTaCrO6 (mvc-9892) | 0.5133 | 0.273 | 5 |
Li4VFe(TeO6)2 (mp-761819) | 0.5251 | 0.060 | 5 |
Li4V2CrTeO12 (mp-775632) | 0.5131 | 0.181 | 5 |
Explore more synthesis descriptions for materials of composition Zn2SiO4.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Zn Si O |
Final Energy/Atom-5.8052 eV |
Corrected Energy-173.5380 eV
Uncorrected energy = -162.5460 eV
Composition-based energy adjustment (-0.687 eV/atom x 16.0 atoms) = -10.9920 eV
Corrected energy = -173.5380 eV
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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)