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-0.234 eVCalculated formation energy from the elements normalized to per atom in the unit cell. |
Energy Above Hull / Atom0.042 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. |
Density6.56 g/cm3The calculated bulk crystalline density, typically underestimated due calculated cell volumes overestimated on average by 3% (+/- 6%) |
Decomposes ToAg2S |
Band Gap0.233 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 MauguinPc [7] |
HallP 2yc |
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.
Download FEFF Input parameters.
substrate material | substrate orientation | film orientation | MCIA† [Å2] |
---|---|---|---|
KCl (mp-23193) | <1 0 0> | <1 0 1> | 122.8 |
KCl (mp-23193) | <1 1 0> | <0 0 1> | 55.9 |
KCl (mp-23193) | <1 1 1> | <0 1 0> | 300.2 |
DyScO3 (mp-31120) | <0 0 1> | <1 1 -1> | 207.3 |
DyScO3 (mp-31120) | <0 1 0> | <0 1 0> | 260.2 |
DyScO3 (mp-31120) | <0 1 1> | <1 1 1> | 323.0 |
DyScO3 (mp-31120) | <1 0 0> | <0 1 0> | 180.1 |
DyScO3 (mp-31120) | <1 0 1> | <1 1 1> | 323.0 |
DyScO3 (mp-31120) | <1 1 0> | <1 0 -1> | 253.5 |
LaAlO3 (mp-2920) | <1 1 0> | <0 0 1> | 251.3 |
InAs (mp-20305) | <1 0 0> | <1 0 0> | 38.8 |
InAs (mp-20305) | <1 1 0> | <0 0 1> | 55.9 |
InAs (mp-20305) | <1 1 1> | <0 0 1> | 335.1 |
ZnSe (mp-1190) | <1 0 0> | <0 1 0> | 260.2 |
ZnSe (mp-1190) | <1 1 0> | <0 1 0> | 180.1 |
AlN (mp-661) | <0 0 1> | <0 1 0> | 100.1 |
AlN (mp-661) | <1 0 0> | <1 0 1> | 61.4 |
AlN (mp-661) | <1 0 1> | <0 0 1> | 139.6 |
AlN (mp-661) | <1 1 0> | <1 0 1> | 184.3 |
AlN (mp-661) | <1 1 1> | <1 1 1> | 258.4 |
KTaO3 (mp-3614) | <1 0 0> | <0 1 1> | 240.5 |
KTaO3 (mp-3614) | <1 1 0> | <0 1 0> | 180.1 |
CeO2 (mp-20194) | <1 0 0> | <1 0 0> | 155.1 |
CeO2 (mp-20194) | <1 1 0> | <0 0 1> | 83.8 |
GaAs (mp-2534) | <1 0 0> | <1 0 0> | 310.1 |
CdS (mp-672) | <0 0 1> | <0 0 1> | 195.5 |
CdS (mp-672) | <1 0 0> | <0 1 0> | 220.1 |
CdS (mp-672) | <1 0 1> | <0 1 0> | 260.2 |
CdS (mp-672) | <1 1 0> | <1 1 0> | 305.4 |
GaAs (mp-2534) | <1 1 0> | <0 1 0> | 180.1 |
BaF2 (mp-1029) | <1 0 0> | <1 0 0> | 38.8 |
BaF2 (mp-1029) | <1 1 0> | <0 0 1> | 55.9 |
LiF (mp-1138) | <1 0 0> | <1 0 0> | 155.1 |
LiF (mp-1138) | <1 1 0> | <0 0 1> | 223.4 |
LiF (mp-1138) | <1 1 1> | <0 1 0> | 320.2 |
GaN (mp-804) | <0 0 1> | <0 0 1> | 139.6 |
GaN (mp-804) | <1 0 0> | <0 1 0> | 100.1 |
GaN (mp-804) | <1 0 1> | <0 0 1> | 139.6 |
GaN (mp-804) | <1 1 0> | <0 1 1> | 206.1 |
GaN (mp-804) | <1 1 1> | <1 0 0> | 155.1 |
Te2W (mp-22693) | <0 0 1> | <0 0 1> | 111.7 |
Te2W (mp-22693) | <0 1 0> | <1 1 0> | 218.1 |
Te2W (mp-22693) | <1 0 0> | <1 0 0> | 193.8 |
Te2W (mp-22693) | <1 0 1> | <1 0 0> | 193.8 |
YVO4 (mp-19133) | <0 0 1> | <0 1 0> | 260.2 |
YVO4 (mp-19133) | <1 0 0> | <0 0 1> | 139.6 |
YVO4 (mp-19133) | <1 1 0> | <1 0 0> | 193.8 |
YVO4 (mp-19133) | <1 1 1> | <0 1 0> | 260.2 |
SiO2 (mp-6930) | <0 0 1> | <0 0 1> | 111.7 |
SiO2 (mp-6930) | <1 0 0> | <1 1 1> | 258.4 |
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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Piezoelectric Tensor eij (C/m2) |
|||||
---|---|---|---|---|---|
-0.06104 | 0.17034 | -0.25990 | 0.00000 | -0.22501 | 0.00000 |
0.00000 | 0.00000 | 0.00000 | 0.33985 | 0.00000 | 0.10007 |
-0.23350 | 0.39035 | 0.71538 | 0.00000 | -0.12112 | 0.00000 |
Piezoelectric Modulus ‖eij‖max0.86231 C/m2 |
Crystallographic Direction vmax |
---|
-1.00000 |
8.00000 |
0.00000 |
Dielectric Tensor εij∞ (electronic contribution) |
||
---|---|---|
17.26 | 0.00 | -2.85 |
0.00 | 15.38 | 0.00 |
-2.87 | 0.00 | 14.05 |
Dielectric Tensor εij (total) |
||
---|---|---|
24.46 | 0.00 | -2.80 |
0.00 | 23.27 | 0.00 |
-2.83 | 0.00 | 22.63 |
Polycrystalline dielectric constant
εpoly∞
15.57
|
Polycrystalline dielectric constant
εpoly
23.45
|
Refractive Index n3.95 |
Potentially ferroelectric?Unknown |
material | dissimilarity | Ehull | # of elements |
---|---|---|---|
LiCuS (mp-861189) | 0.6603 | 0.078 | 3 |
FeOF (mp-768030) | 0.7016 | 0.021 | 3 |
BaCaI4 (mp-766365) | 0.7252 | 0.069 | 3 |
ScOF (mp-4662) | 0.6419 | 0.048 | 3 |
TaGaO4 (mp-33508) | 0.7124 | 0.040 | 3 |
InCu(MoO4)2 (mp-618075) | 0.7241 | 0.037 | 4 |
NbO2 (mp-821) | 0.7195 | 0.003 | 2 |
Cu2S (mp-618991) | 0.6808 | 0.048 | 2 |
NbO2 (mp-557057) | 0.6851 | 0.000 | 2 |
Mg2Si3 (mp-1073116) | 0.7022 | 0.223 | 2 |
MgSi2 (mp-1073642) | 0.6832 | 0.132 | 2 |
Explore more synthesis descriptions for materials of composition Ag2S.
Text computed by synthesisproject.org.
Run TypeGGA |
Energy Cutoff520 eV |
# of K-pointsNone |
U Values-- |
PseudopotentialsVASP PAW: Ag S |
Final Energy/Atom-3.2803 eV |
Corrected Energy-21.0088 eV
-21.0088 eV = -19.6819 eV (uncorrected energy) - 1.3269 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)