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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 426-450 out of 594
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Dipole_val
ads_E
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
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
ads_site
✕
426
Cu
54
Mg
3455.789
0t
427
AlCu
54
3458.466
0t
428
Cu
54
Si
3459.569
0t
429
Cu
54
P
3462.458
0t
430
Cu
54
S
3463.544
0t
431
Cu
54
Cl
3466.934
0t
432
Cu
54
Ar
3471.432
0t
433
Cu
54
H
3432.492
2b
434
Cu
54
He
3435.487
2b
435
Cu
54
Li
3438.424
2b
436
BeCu
54
3440.496
2b
437
Cu
54
B
3442.294
2b
438
Cu
54
C
3443.495
2b
439
Cu
54
N
3445.491
2b
440
Cu
54
O
3447.483
2b
441
Cu
54
F
3450.482
2b
442
Cu
54
Ne
3451.664
2b
443
Cu
54
Na
3454.474
2b
444
Cu
54
Mg
3455.789
2b
445
AlCu
54
3458.466
2b
446
Cu
54
Si
3459.569
2b
447
Cu
54
P
3462.458
2b
448
Cu
54
S
3463.544
2b
449
Cu
54
Cl
3466.934
2b
450
Cu
54
Ar
3471.432
2b
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