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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 351-375 out of 414
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ads_E
ads_site
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
atom_E
✕
Dipole_val
✕
distance
✕
Volume
✕
351
Ag
45
F
-0.424
1.110
1.506
2248.827
352
Ag
45
Ne
-0.013
-0.009
3.627
2248.827
353
Ag
45
Na
-0.225
-4.252
2.422
2248.827
354
Ag
45
Mg
-0.004
-2.246
2.063
2248.827
355
Ag
45
Al
-0.295
-0.592
1.926
2248.827
356
Ag
45
Si
-0.830
0.270
1.705
2248.827
357
Ag
45
P
-1.888
1.001
1.636
2248.827
358
Ag
45
S
-0.945
1.277
1.681
2248.827
359
Ag
45
Cl
-0.243
1.132
1.982
2248.827
360
Ag
45
Ar
-0.025
-0.051
3.926
2248.827
361
Ag
45
H
-1.120
0.067
1.075
2248.827
362
Ag
45
He
0.002
-0.023
3.728
2248.827
363
Ag
45
Li
-0.299
-3.180
2.033
2248.827
364
Ag
45
Be
-0.039
-0.427
1.210
2248.827
365
Ag
45
B
-0.349
0.308
0.797
2248.827
366
Ag
45
C
-1.250
0.681
1.006
2248.827
367
Ag
45
N
-3.120
0.936
1.061
2248.827
368
Ag
45
O
-1.530
1.074
1.165
2248.827
369
Ag
45
F
-0.424
1.109
1.506
2248.827
370
Ag
45
Ne
-0.013
-0.007
3.675
2248.827
371
Ag
45
Na
-0.225
-4.262
2.404
2248.827
372
Ag
45
Mg
-0.004
-2.208
1.979
2248.827
373
Ag
45
Al
-0.295
-0.587
1.930
2248.827
374
Ag
45
Si
-0.830
0.259
1.700
2248.827
375
Ag
45
P
-1.890
1.000
1.634
2248.827
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