New search
About ...
CMR
Search
Help
Stoichiometry:
Number of chemical species:
1
2
3
4
Host formiula
Dopant species
Defecttype
interstitial
adsorbate
Relaxation fully converged?
True
False
Host spacegroup number
Found 17364 rows out of 17364, showing rows 1-25
Add column:
Calculation supercell
Defect setup position
Depth parameter
Dopant chemical potential [eV]
Extension factor
Formation energy [eV]
Formula
Host energy [eV]
Host spacegroup symbol
Number of atoms
Number of species
Reduced formula
Relaxation converged?
Stoichiometry
System name
Total energy [eV]
Total energy convergence [eV]
Total energy convergence, first WF step [eV]
Total energy, first WF step [eV]
Unique ID
Unit cell area [Å
2
]
Host chemical formula
Impurity species
Impurity type
Magnetic moment
NbS2
Tm
adsorbate
2
NbSe2
Dy
interstitial
0
WTe2
Ce
interstitial
0
MoS2
Y
interstitial
6
SnS2
Cl
interstitial
1
WSe2
Ir
interstitial
1
WS2
H
interstitial
1
MoS2
Tc
adsorbate
5
MoS2
Bi
interstitial
1
NbSe2
Sn
adsorbate
3
MoTe2
Te
interstitial
2
NbS2
Pb
adsorbate
-1
WTe2
Be
adsorbate
2
MoSe2
Ru
adsorbate
2
WTe2
Lu
interstitial
1
MoS2
Zn
adsorbate
0
MoTe2
Co
adsorbate
3
SnS2
Pt
adsorbate
2
WTe2
Hg
adsorbate
0
SnS2
Ru
interstitial
0
MoTe2
As
adsorbate
3
MoSe2
In
adsorbate
0
WTe2
Mg
interstitial
0
MoSe2
I
adsorbate
1
WTe2
Pr
adsorbate
3
«
<
1-25
26-50
51-75
>
»
