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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
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 301-325 out of 414
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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)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Number of atoms
✕
Username
✕
Volume
✕
301
C
60
H
18
78
mse-gucc
8000.000
302
C
60
H
18
78
mse-gucc
8000.000
303
C
60
H
18
78
mse-gucc
8000.000
304
C
60
H
18
78
mse-gucc
8000.000
305
C
60
H
18
78
mse-gucc
8000.000
306
C
60
H
18
78
mse-gucc
8000.000
307
C
60
H
18
78
mse-gucc
8000.000
308
C
60
H
18
78
mse-gucc
8000.000
309
C
60
H
18
78
mse-gucc
8000.000
310
C
60
H
18
78
mse-gucc
8000.000
311
C
60
H
18
78
mse-gucc
8000.000
312
C
60
H
18
78
mse-gucc
8000.000
313
C
60
H
18
78
mse-gucc
8000.000
314
C
60
H
18
78
mse-gucc
8000.000
315
C
60
H
18
78
mse-gucc
8000.000
316
C
60
H
18
78
mse-gucc
8000.000
317
C
60
H
18
78
mse-gucc
8000.000
318
C
60
H
18
78
mse-gucc
8000.000
319
C
60
H
18
78
mse-gucc
8000.000
320
C
60
H
18
78
mse-gucc
8000.000
321
C
60
H
18
78
mse-gucc
8000.000
322
C
60
H
18
78
mse-gucc
8000.000
323
C
60
H
18
78
mse-gucc
8000.000
324
C
60
H
18
78
mse-gucc
8000.000
325
C
60
H
18
78
mse-gucc
8000.000
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