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MATLAB-code
ASE database
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age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
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
perms_num
perms_number
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 426-450 out of 2180
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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)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
426
C
60
H
36
8000.000
427
C
60
H
36
8000.000
428
C
60
H
36
8000.000
429
C
60
H
36
8000.000
430
C
60
H
36
8000.000
431
C
60
H
36
8000.000
432
C
60
H
36
8000.000
433
C
60
H
36
8000.000
434
C
60
H
36
8000.000
435
C
60
H
36
8000.000
436
C
60
H
36
8000.000
437
C
60
H
36
8000.000
438
C
60
H
36
8000.000
439
C
60
H
36
8000.000
440
C
60
H
36
8000.000
441
C
60
H
36
8000.000
442
C
60
H
36
8000.000
443
C
60
H
36
8000.000
444
C
60
H
36
8000.000
445
C
60
H
36
8000.000
446
C
60
H
36
8000.000
447
C
60
H
36
8000.000
448
C
60
H
36
8000.000
449
C
60
H
36
8000.000
450
C
60
H
36
8000.000
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