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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 501-8 out of 8
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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)
Maximum force (fmax)
Magnetic moment (magmom)
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
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100
200
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ID
✕
Formula
✕
Mass
✕
501
Cu
72
P
4606.286
502
Cu
72
S
4607.372
503
Cu
72
Cl
4610.762
504
Cu
72
Ar
4615.260
505
Cu
72
H
4576.320
506
Cu
72
He
4579.315
507
Cu
72
Li
4582.252
508
BeCu
72
4584.324
509
Cu
72
B
4586.122
510
Cu
72
C
4587.323
511
Cu
72
N
4589.319
512
Cu
72
O
4591.311
513
Cu
72
F
4594.310
514
Cu
72
Ne
4595.492
515
Cu
72
Na
4598.302
516
Cu
72
Mg
4599.617
517
AlCu
72
4602.294
518
Cu
72
Si
4603.397
519
Cu
72
P
4606.286
520
Cu
72
S
4607.372
521
Cu
72
Cl
4610.762
522
Cu
72
Ar
4615.260
523
Cu
54
H
3432.492
524
Cu
54
He
3435.487
525
Cu
54
Li
3438.424
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