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-0.032 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.035 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. |
Density7.51 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToAg2Se |
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 MauguinCmce [64] |
Hall-C 2bc 2 |
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] |
---|---|---|---|
AlN (mp-661) | <0 0 1> | <0 0 1> | 213.1 |
AlN (mp-661) | <1 1 0> | <0 0 1> | 106.5 |
CeO2 (mp-20194) | <1 0 0> | <0 1 0> | 179.2 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 263.5 |
GaN (mp-804) | <0 0 1> | <0 1 1> | 151.3 |
GaN (mp-804) | <1 0 0> | <1 1 1> | 218.9 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 284.1 |
GaN (mp-804) | <1 1 0> | <1 0 0> | 263.5 |
DyScO3 (mp-31120) | <0 0 1> | <0 0 1> | 319.6 |
DyScO3 (mp-31120) | <0 1 0> | <1 0 0> | 263.5 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 0> | 263.5 |
ZnSe (mp-1190) | <1 0 0> | <1 0 0> | 263.5 |
KTaO3 (mp-3614) | <1 1 0> | <0 1 1> | 201.8 |
CdS (mp-672) | <1 0 1> | <0 1 0> | 358.3 |
CdS (mp-672) | <1 1 0> | <0 0 1> | 248.6 |
CdS (mp-672) | <1 1 1> | <0 0 1> | 106.5 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 210.8 |
Te2W (mp-22693) | <0 1 0> | <1 1 1> | 218.9 |
YVO4 (mp-19133) | <1 0 0> | <0 0 1> | 142.0 |
TePb (mp-19717) | <1 0 0> | <1 0 0> | 210.8 |
Te2Mo (mp-602) | <1 0 0> | <1 1 1> | 218.9 |
BN (mp-984) | <0 0 1> | <1 1 1> | 218.9 |
Bi2Se3 (mp-541837) | <0 0 1> | <0 0 1> | 177.6 |
MoS2 (mp-1434) | <0 0 1> | <0 1 1> | 151.3 |
Al (mp-134) | <1 0 0> | <0 1 0> | 179.2 |
Al (mp-134) | <1 1 0> | <0 1 1> | 201.8 |
LiGaO2 (mp-5854) | <0 1 0> | <1 0 0> | 263.5 |
LiGaO2 (mp-5854) | <1 1 0> | <0 1 0> | 143.3 |
TeO2 (mp-2125) | <0 0 1> | <1 1 1> | 291.8 |
MgO (mp-1265) | <1 1 0> | <0 0 1> | 284.1 |
TiO2 (mp-2657) | <0 0 1> | <1 0 0> | 105.4 |
TiO2 (mp-2657) | <1 0 0> | <0 0 1> | 284.1 |
TiO2 (mp-2657) | <1 1 0> | <0 0 1> | 284.1 |
C (mp-66) | <1 0 0> | <0 1 1> | 50.4 |
C (mp-66) | <1 1 1> | <1 0 0> | 263.5 |
GdScO3 (mp-5690) | <0 0 1> | <0 0 1> | 319.6 |
GdScO3 (mp-5690) | <0 1 0> | <1 0 0> | 263.5 |
GdScO3 (mp-5690) | <1 0 1> | <0 0 1> | 284.1 |
Mg (mp-153) | <1 0 1> | <0 0 1> | 284.1 |
Mg (mp-153) | <1 1 0> | <1 0 0> | 263.5 |
AlN (mp-661) | <1 0 0> | <0 0 1> | 106.5 |
AlN (mp-661) | <1 0 1> | <1 0 1> | 317.7 |
GaAs (mp-2534) | <1 1 0> | <0 0 1> | 142.0 |
BaF2 (mp-1029) | <1 0 0> | <1 0 1> | 317.7 |
GaN (mp-804) | <1 1 1> | <0 0 1> | 177.6 |
SiO2 (mp-6930) | <0 0 1> | <0 1 0> | 250.8 |
SiO2 (mp-6930) | <1 0 0> | <0 0 1> | 106.5 |
SiO2 (mp-6930) | <1 0 1> | <1 0 1> | 254.2 |
SiO2 (mp-6930) | <1 1 0> | <1 0 1> | 190.6 |
SiO2 (mp-6930) | <1 1 1> | <1 0 1> | 317.7 |
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 |
---|---|---|---|
Fe3Se4 (mp-684963) | 0.7011 | 0.507 | 2 |
CaIn2 (mp-581665) | 0.6480 | 0.417 | 2 |
Ag2S (mp-32791) | 0.3453 | 0.089 | 2 |
LiO2 (mp-1094129) | 0.6967 | 0.576 | 2 |
Ag2Te (mp-32811) | 0.2371 | 0.038 | 2 |
Explore more synthesis descriptions for materials of composition Ag2Se.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Ag Se |
Final Energy/Atom-3.0856 eV |
Corrected Energy-18.5133 eV
-18.5133 eV = -18.5133 eV (uncorrected energy)
|
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)