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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 276-300 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)
Number of atoms (natoms)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Username
✕
PBC
✕
276
C
60
H
24
mse-gucc
TTT
277
C
60
H
24
mse-gucc
TTT
278
C
60
H
24
mse-gucc
TTT
279
C
60
H
24
mse-gucc
TTT
280
C
60
H
24
mse-gucc
TTT
281
C
60
H
24
mse-gucc
TTT
282
C
60
H
24
mse-gucc
TTT
283
C
60
H
24
mse-gucc
TTT
284
C
60
H
24
mse-gucc
TTT
285
C
60
H
24
mse-gucc
TTT
286
C
60
H
24
mse-gucc
TTT
287
C
60
H
24
mse-gucc
TTT
288
C
60
H
24
mse-gucc
TTT
289
C
60
H
24
mse-gucc
TTT
290
C
60
H
24
mse-gucc
TTT
291
C
60
H
24
mse-gucc
TTT
292
C
60
H
24
mse-gucc
TTT
293
C
60
H
24
mse-gucc
TTT
294
C
60
H
24
mse-gucc
TTT
295
C
60
H
24
mse-gucc
TTT
296
C
60
H
24
mse-gucc
TTT
297
C
60
H
24
mse-gucc
TTT
298
C
60
H
24
mse-gucc
TTT
299
C
60
H
24
mse-gucc
TTT
300
C
60
H
24
mse-gucc
TTT
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