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SAGAR
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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 1-25 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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
ID
✕
Formula
✕
Mass
✕
264
C
60
H
36
756.948
402
C
60
H
36
756.948
447
C
60
H
36
756.948
450
C
60
H
36
756.948
451
C
60
H
36
756.948
453
C
60
H
36
756.948
459
C
60
H
36
756.948
492
C
60
H
36
756.948
495
C
60
H
36
756.948
363
C
60
H
36
756.948
369
C
60
H
36
756.948
376
C
60
H
36
756.948
377
C
60
H
36
756.948
389
C
60
H
36
756.948
392
C
60
H
36
756.948
403
C
60
H
36
756.948
422
C
60
H
36
756.948
424
C
60
H
36
756.948
448
C
60
H
36
756.948
449
C
60
H
36
756.948
452
C
60
H
36
756.948
454
C
60
H
36
756.948
455
C
60
H
36
756.948
456
C
60
H
36
756.948
466
C
60
H
36
756.948
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