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-0.834 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.007 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. |
Density8.02 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToAg5(PbO3)2 + AgO + PbO2 |
Band Gap0.000 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 [1] |
HallP 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] |
---|---|---|---|
Ag (mp-124) | <1 0 0> | <0 0 1> | 312.0 |
Ag (mp-124) | <1 1 0> | <0 0 1> | 124.8 |
Ag (mp-124) | <1 1 1> | <0 0 1> | 62.4 |
LiNbO3 (mp-3731) | <0 0 1> | <0 0 1> | 187.2 |
LiNbO3 (mp-3731) | <1 0 1> | <0 0 1> | 312.0 |
Al (mp-134) | <1 0 0> | <0 0 1> | 249.6 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 124.8 |
LiGaO2 (mp-5854) | <0 1 0> | <0 1 0> | 233.7 |
SiC (mp-7631) | <0 0 1> | <0 0 1> | 312.0 |
SiC (mp-7631) | <1 0 0> | <0 0 1> | 187.2 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 249.6 |
GaN (mp-804) | <1 0 1> | <0 1 1> | 132.7 |
GaN (mp-804) | <1 1 0> | <0 1 1> | 265.4 |
SiO2 (mp-6930) | <1 1 1> | <0 1 1> | 265.4 |
LiTaO3 (mp-3666) | <0 0 1> | <0 0 1> | 187.2 |
LiTaO3 (mp-3666) | <1 0 1> | <0 0 1> | 312.0 |
InAs (mp-20305) | <1 0 0> | <0 0 1> | 187.2 |
InAs (mp-20305) | <1 1 0> | <0 1 1> | 265.4 |
Fe3O4 (mp-19306) | <1 1 1> | <0 0 1> | 124.8 |
MgO (mp-1265) | <1 1 0> | <0 0 1> | 124.8 |
MgO (mp-1265) | <1 1 1> | <0 0 1> | 62.4 |
TiO2 (mp-2657) | <1 1 0> | <0 1 0> | 116.8 |
KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 312.0 |
C (mp-66) | <1 0 0> | <0 0 1> | 312.0 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 249.6 |
Te2W (mp-22693) | <0 1 0> | <0 0 1> | 312.0 |
Mg (mp-153) | <1 0 0> | <0 0 1> | 249.6 |
Mg (mp-153) | <1 0 1> | <0 1 1> | 132.7 |
Mg (mp-153) | <1 1 0> | <0 1 1> | 265.4 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 312.0 |
Te2Mo (mp-602) | <1 0 0> | <0 0 1> | 312.0 |
Te2Mo (mp-602) | <1 1 0> | <0 0 1> | 187.2 |
Te2Mo (mp-602) | <1 1 1> | <0 0 1> | 187.2 |
PbS (mp-21276) | <1 0 0> | <0 0 1> | 249.6 |
PbS (mp-21276) | <1 1 0> | <0 0 1> | 249.6 |
InP (mp-20351) | <1 0 0> | <0 0 1> | 249.6 |
InP (mp-20351) | <1 1 0> | <0 0 1> | 249.6 |
Ni (mp-23) | <1 1 0> | <0 0 1> | 312.0 |
Ga2O3 (mp-886) | <1 0 0> | <0 1 0> | 233.7 |
BaTiO3 (mp-5986) | <1 0 0> | <0 0 1> | 249.6 |
SiC (mp-11714) | <0 0 1> | <0 0 1> | 312.0 |
MoSe2 (mp-1634) | <0 0 1> | <0 0 1> | 124.8 |
Au (mp-81) | <1 0 0> | <0 0 1> | 312.0 |
Au (mp-81) | <1 1 0> | <0 0 1> | 124.8 |
Au (mp-81) | <1 1 1> | <0 0 1> | 62.4 |
YAlO3 (mp-3792) | <0 1 0> | <0 0 1> | 312.0 |
WSe2 (mp-1821) | <0 0 1> | <0 0 1> | 124.8 |
CdWO4 (mp-19387) | <0 0 1> | <0 0 1> | 62.4 |
CdWO4 (mp-19387) | <1 0 1> | <0 1 1> | 132.7 |
ZrO2 (mp-2858) | <0 1 0> | <0 0 1> | 249.6 |
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 |
---|---|---|---|
Ag9(PbO3)4 (mp-675327) | 0.2265 | 0.005 | 3 |
Ag33(PbO3)14 (mp-674968) | 0.2745 | 0.003 | 3 |
Ag7(PbO3)3 (mp-757612) | 0.2637 | 0.003 | 3 |
Ag7(PbO3)3 (mp-531125) | 0.2711 | 0.003 | 3 |
Ag2BiO3 (mp-561113) | 0.6264 | 0.001 | 3 |
LiFe2O2F3 (mp-780549) | 0.6062 | 0.070 | 4 |
Li2VOF4 (mp-764695) | 0.7172 | 0.009 | 4 |
Ga2Fe2Bi2O9 (mp-649039) | 0.7469 | 0.030 | 4 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Ag Pb_d O |
Final Energy/Atom-4.4968 eV |
Corrected Energy-358.0492 eV
-358.0492 eV = -332.7668 eV (uncorrected energy) - 25.2824 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)