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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 376-400 out of 594
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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)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Formula
✕
Username
✕
376
C
60
H
18
mse-gucc
377
C
60
H
18
mse-gucc
378
C
60
H
18
mse-gucc
379
C
60
H
18
mse-gucc
380
C
60
H
18
mse-gucc
381
C
60
H
18
mse-gucc
382
C
60
H
18
mse-gucc
383
C
60
H
18
mse-gucc
384
C
60
H
18
mse-gucc
385
C
60
H
18
mse-gucc
386
C
60
H
18
mse-gucc
387
C
60
H
18
mse-gucc
388
C
60
H
18
mse-gucc
389
C
60
H
18
mse-gucc
390
C
60
H
18
mse-gucc
391
C
60
H
18
mse-gucc
392
C
60
H
18
mse-gucc
393
C
60
H
18
mse-gucc
394
C
60
H
18
mse-gucc
395
C
60
H
18
mse-gucc
396
C
60
H
18
mse-gucc
397
C
60
H
18
mse-gucc
398
C
60
H
18
mse-gucc
399
C
60
H
18
mse-gucc
400
C
60
H
18
mse-gucc
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