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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 326-350 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)
Volume of unit cell (volume)
Rows: 25
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25
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200
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ID
✕
Formula
✕
Username
✕
Number of atoms
✕
326
C
60
H
24
mse-gucc
84
327
C
60
H
24
mse-gucc
84
328
C
60
H
24
mse-gucc
84
329
C
60
H
24
mse-gucc
84
330
C
60
H
24
mse-gucc
84
331
C
60
H
24
mse-gucc
84
332
C
60
H
24
mse-gucc
84
333
C
60
H
24
mse-gucc
84
334
C
60
H
24
mse-gucc
84
335
C
60
H
24
mse-gucc
84
336
C
60
H
24
mse-gucc
84
337
C
60
H
24
mse-gucc
84
338
C
60
H
24
mse-gucc
84
339
C
60
H
24
mse-gucc
84
340
C
60
H
24
mse-gucc
84
341
C
60
H
24
mse-gucc
84
342
C
60
H
24
mse-gucc
84
343
C
60
H
24
mse-gucc
84
344
C
60
H
24
mse-gucc
84
345
C
60
H
24
mse-gucc
84
346
C
60
H
24
mse-gucc
84
347
C
60
H
24
mse-gucc
84
348
C
60
H
24
mse-gucc
84
349
C
60
H
24
mse-gucc
84
350
C
60
H
24
mse-gucc
84
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