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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 501-525 out of 594
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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
Maximum force (fmax)
Chemical formula (formula)
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
✕
Energy
✕
Volume
✕
501
-258.140
2163.104
502
-257.602
2163.104
503
-255.817
2163.104
504
-252.163
2163.104
505
-255.116
2163.104
506
-252.122
2163.104
507
-254.178
2163.104
508
-253.474
2163.104
509
-255.137
2163.104
510
-256.266
2163.104
511
-256.842
2163.104
512
-257.085
2163.104
513
-256.591
2163.104
514
-252.138
2163.104
515
-253.859
2163.104
516
-253.063
2163.104
517
-254.732
2163.104
518
-255.804
2163.104
519
-256.307
2163.104
520
-256.293
2163.104
521
-255.574
2163.104
522
-252.148
2163.104
523
-196.524
1730.483
524
-192.846
1730.483
525
-195.478
1730.483
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