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ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 301-325 out of 517
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Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
301
Ag
72
Al
0.008
302
Ag
72
Si
0.007
303
Ag
72
P
0.007
304
Ag
72
S
0.009
305
Ag
72
Cl
0.006
306
Ag
72
Ar
0.015
307
Ag
72
H
0.004
308
Ag
72
He
0.008
309
Ag
72
Li
0.008
310
Ag
72
Be
0.008
311
Ag
72
B
0.007
312
Ag
72
C
0.008
313
Ag
72
N
0.016
314
Ag
72
O
0.009
315
Ag
72
F
0.007
316
Ag
72
Ne
0.009
317
Ag
72
Na
0.008
318
Ag
72
Mg
0.008
319
Ag
72
Al
0.004
320
Ag
72
Si
0.009
321
Ag
72
P
0.487
322
Ag
72
S
0.006
323
Ag
72
Cl
0.007
324
Ag
72
Ar
0.005
325
Ag
45
H
0.009
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