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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 526-550 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)
Chemical formula (formula)
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
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200
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ID
✕
ads_site
✕
Mass
✕
526
2h
17285.869
527
2h
17285.869
528
2h
17285.869
529
2h
17285.869
530
2h
17285.869
531
2h
17285.869
532
2h
17285.869
533
2h
17285.869
534
2h
17285.869
535
2h
17285.869
536
2h
17285.869
537
2h
17285.869
538
2h
17285.869
539
2h
17285.869
540
2h
17285.869
541
3h
17285.869
542
3h
17285.869
543
3h
17285.869
544
3h
17285.869
545
3h
17285.869
546
3h
17285.869
547
3h
17285.869
548
3h
17285.869
549
3h
17285.869
550
3h
17285.869
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