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-1.584 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.055 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. |
Density6.01 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToAg2O + SiO2 |
Band Gap0.497 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 MauguinP1 [2] |
Hall-P 1 |
Point Group1 |
Crystal Systemtriclinic |
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] |
---|---|---|---|
AlN (mp-661) | <1 0 0> | <0 0 1> | 299.4 |
AlN (mp-661) | <1 0 1> | <1 -1 0> | 234.2 |
GaN (mp-804) | <1 0 0> | <0 1 -1> | 271.6 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 299.4 |
GaAs (mp-2534) | <1 1 0> | <0 1 1> | 142.6 |
SiO2 (mp-6930) | <1 0 1> | <0 1 0> | 279.3 |
KCl (mp-23193) | <1 1 0> | <0 0 1> | 299.4 |
ZnSe (mp-1190) | <1 1 0> | <0 1 1> | 142.6 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 224.5 |
Te2W (mp-22693) | <1 0 0> | <0 0 1> | 299.4 |
YVO4 (mp-19133) | <1 0 0> | <1 0 1> | 138.6 |
TePb (mp-19717) | <1 1 0> | <0 0 1> | 299.4 |
LiF (mp-1138) | <1 1 0> | <0 1 1> | 142.6 |
Te2Mo (mp-602) | <1 1 1> | <0 0 1> | 299.4 |
YVO4 (mp-19133) | <1 0 1> | <1 0 0> | 199.8 |
TePb (mp-19717) | <1 0 0> | <0 0 1> | 224.5 |
Te2Mo (mp-602) | <0 0 1> | <0 1 0> | 186.2 |
Bi2Te3 (mp-34202) | <0 0 1> | <1 1 0> | 153.6 |
BN (mp-984) | <0 0 1> | <1 1 1> | 197.2 |
BN (mp-984) | <1 0 1> | <0 1 -1> | 181.0 |
MoS2 (mp-1434) | <1 0 0> | <1 0 0> | 199.8 |
MoS2 (mp-1434) | <1 0 1> | <0 1 0> | 279.3 |
Al (mp-134) | <1 0 0> | <0 0 1> | 224.5 |
LiGaO2 (mp-5854) | <0 1 0> | <0 0 1> | 224.5 |
CdTe (mp-406) | <1 0 0> | <0 0 1> | 224.5 |
CdTe (mp-406) | <1 1 0> | <0 0 1> | 299.4 |
TeO2 (mp-2125) | <0 0 1> | <0 0 1> | 224.5 |
TiO2 (mp-2657) | <0 0 1> | <1 0 0> | 299.8 |
TiO2 (mp-2657) | <1 1 0> | <0 0 1> | 299.4 |
SiC (mp-7631) | <0 0 1> | <0 0 1> | 74.8 |
SiC (mp-7631) | <1 0 0> | <1 0 1> | 138.6 |
LiTaO3 (mp-3666) | <1 0 0> | <1 0 0> | 299.8 |
GdScO3 (mp-5690) | <0 0 1> | <0 0 1> | 224.5 |
GdScO3 (mp-5690) | <1 0 0> | <0 1 1> | 142.6 |
TiO2 (mp-2657) | <1 0 0> | <0 0 1> | 224.5 |
Mg (mp-153) | <1 0 1> | <1 0 0> | 299.8 |
KP(HO2)2 (mp-23959) | <0 0 1> | <1 0 0> | 299.8 |
GaP (mp-2490) | <1 1 0> | <0 0 1> | 299.4 |
Ni (mp-23) | <1 0 0> | <1 -1 1> | 259.6 |
KP(HO2)2 (mp-23959) | <0 1 0> | <1 0 0> | 299.8 |
BaTiO3 (mp-5986) | <1 0 0> | <0 0 1> | 149.7 |
TbScO3 (mp-31119) | <1 0 1> | <0 1 0> | 279.3 |
NdGaO3 (mp-3196) | <0 1 0> | <0 0 1> | 299.4 |
NdGaO3 (mp-3196) | <1 0 0> | <1 0 -1> | 218.7 |
NdGaO3 (mp-3196) | <1 1 1> | <1 0 0> | 199.8 |
Ni (mp-23) | <1 1 0> | <0 1 0> | 279.3 |
InSb (mp-20012) | <1 0 0> | <0 0 1> | 224.5 |
InSb (mp-20012) | <1 1 0> | <0 0 1> | 299.4 |
BaTiO3 (mp-5986) | <0 0 1> | <0 0 1> | 224.5 |
SiC (mp-11714) | <0 0 1> | <0 0 1> | 74.8 |
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 |
---|---|---|---|
V2Pb4O9 (mp-647385) | 0.6532 | 0.000 | 3 |
Si2Ag6O7 (mp-561313) | 0.5940 | 0.051 | 3 |
Si2Ag6O7 (mp-541728) | 0.5327 | 0.047 | 3 |
Ag8Ge3O10 (mp-679950) | 0.4999 | 0.022 | 3 |
K3W2N5 (mp-1029938) | 0.6518 | 0.000 | 3 |
Li2CrSi3O8 (mp-762398) | 0.6153 | 0.056 | 4 |
CsNaSi2O5 (mp-572951) | 0.6252 | 0.000 | 4 |
RbNaSi2O5 (mp-557656) | 0.5962 | 0.000 | 4 |
Ca4Al6MoO16 (mp-578961) | 0.6236 | 0.000 | 4 |
LiSn4(PO4)3 (mp-765150) | 0.5857 | 0.079 | 4 |
SrMgSn(PO4)2 (mvc-2716) | 0.6886 | 0.077 | 5 |
SrZnSn(PO4)2 (mvc-2777) | 0.7057 | 0.080 | 5 |
NaLi2B(PO4)2 (mp-1020646) | 0.6505 | 0.000 | 5 |
KNaLi2(SO4)2 (mp-14484) | 0.6997 | 0.000 | 5 |
Li2SbSO4F3 (mp-769153) | 0.6549 | 0.069 | 5 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Si Ag O |
Final Energy/Atom-5.4806 eV |
Corrected Energy-314.2097 eV
-314.2097 eV = -295.9501 eV (uncorrected energy) - 18.2595 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)