Final Magnetic Moment0.001 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-0.161 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.093 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. |
Density6.50 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToAg2S + AgI + S |
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 MauguinCm [8] |
HallC 2y |
Point Groupm |
Crystal Systemmonoclinic |
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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Download spectra for every symmetrically equivalent absorption site in the structure.
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substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
LaAlO3 (mp-2920) | <1 0 0> | <0 0 1> | 151.4 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 302.9 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 212.0 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 212.0 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 333.1 |
GaAs (mp-2534) | <1 1 0> | <0 0 1> | 333.1 |
BaF2 (mp-1029) | <1 1 0> | <0 0 1> | 333.1 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 363.4 |
SiO2 (mp-6930) | <1 0 1> | <0 0 1> | 181.7 |
SiO2 (mp-6930) | <1 1 0> | <1 0 0> | 233.0 |
KCl (mp-23193) | <1 0 0> | <0 0 1> | 333.1 |
AlN (mp-661) | <0 0 1> | <0 0 1> | 212.0 |
DyScO3 (mp-31120) | <1 1 1> | <0 0 1> | 272.6 |
InAs (mp-20305) | <1 1 0> | <0 0 1> | 333.1 |
ZnSe (mp-1190) | <1 0 0> | <0 0 1> | 333.1 |
ZnSe (mp-1190) | <1 1 0> | <0 0 1> | 333.1 |
AlN (mp-661) | <1 1 1> | <0 0 1> | 272.6 |
GaAs (mp-2534) | <1 0 0> | <0 0 1> | 333.1 |
KTaO3 (mp-3614) | <1 1 0> | <0 0 1> | 212.0 |
CdS (mp-672) | <1 0 0> | <0 0 1> | 30.3 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 333.1 |
GaN (mp-804) | <1 0 0> | <0 0 1> | 121.1 |
SiO2 (mp-6930) | <0 0 1> | <1 0 1> | 241.8 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 242.3 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 90.9 |
Te2W (mp-22693) | <0 1 0> | <0 0 1> | 212.0 |
Te2W (mp-22693) | <1 1 0> | <0 0 1> | 212.0 |
DyScO3 (mp-31120) | <1 0 1> | <0 0 1> | 272.6 |
KTaO3 (mp-3614) | <1 0 0> | <0 0 1> | 333.1 |
CdS (mp-672) | <1 0 1> | <0 0 1> | 272.6 |
CdS (mp-672) | <1 1 0> | <0 0 1> | 151.4 |
LiF (mp-1138) | <1 0 0> | <0 0 1> | 333.1 |
LiF (mp-1138) | <1 1 0> | <0 0 1> | 212.0 |
Ag (mp-124) | <1 1 0> | <0 0 1> | 212.0 |
BN (mp-984) | <0 0 1> | <0 0 1> | 151.4 |
BN (mp-984) | <1 0 0> | <0 0 1> | 333.1 |
BN (mp-984) | <1 1 0> | <1 0 0> | 233.0 |
YVO4 (mp-19133) | <0 0 1> | <0 0 1> | 151.4 |
YVO4 (mp-19133) | <1 0 0> | <0 0 1> | 90.9 |
YVO4 (mp-19133) | <1 0 1> | <0 0 1> | 272.6 |
Bi2Se3 (mp-541837) | <0 0 1> | <0 0 1> | 30.3 |
Te2Mo (mp-602) | <1 0 0> | <0 0 1> | 212.0 |
MoS2 (mp-1434) | <0 0 1> | <0 0 1> | 333.1 |
LiGaO2 (mp-5854) | <0 1 0> | <0 0 1> | 363.4 |
BN (mp-984) | <1 0 1> | <0 0 1> | 272.6 |
BN (mp-984) | <1 1 1> | <0 0 1> | 212.0 |
LiGaO2 (mp-5854) | <0 1 1> | <0 0 1> | 302.9 |
LiGaO2 (mp-5854) | <1 0 0> | <0 0 1> | 302.9 |
LiGaO2 (mp-5854) | <1 1 1> | <0 0 1> | 272.6 |
TeO2 (mp-2125) | <0 1 1> | <0 0 1> | 151.4 |
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 |
---|---|---|---|
TmTaO4 (mp-756898) | 0.7458 | 0.017 | 3 |
Li5(NiO2)4 (mp-780518) | 0.7031 | 0.065 | 3 |
Li5Cr4O8 (mp-850237) | 0.7209 | 0.101 | 3 |
Li10Mn3Cr5O16 (mp-765030) | 0.7025 | 0.084 | 4 |
Li10Mn3V5O16 (mp-764265) | 0.7239 | 0.083 | 4 |
Li2VO2F (mp-763198) | 0.6955 | 0.099 | 4 |
Li2VO2F (mp-763209) | 0.7121 | 0.102 | 4 |
Li5FeNi3O8 (mp-765057) | 0.7154 | 0.073 | 4 |
Li10Ti2Fe3Co3O16 (mp-778830) | 0.6753 | 0.093 | 5 |
Li10Mn3Cr2Ni3O16 (mp-778885) | 0.6914 | 0.098 | 5 |
Li10Ti2Mn3Ni3O16 (mp-777713) | 0.6312 | 0.118 | 5 |
Li10Mn3Cr3(FeO8)2 (mp-777601) | 0.6787 | 0.538 | 5 |
Li10Ti2Fe3Ni3O16 (mp-774319) | 0.6258 | 0.087 | 5 |
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Ag S I |
Final Energy/Atom-2.8360 eV |
Corrected Energy-50.8665 eV
-50.8665 eV = -48.2127 eV (uncorrected energy) - 2.6538 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)