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SAGAR
Database
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 351-375 out of 414
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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
10
25
50
100
200
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ID
✕
Formula
✕
Calculator
✕
Username
✕
Age
✕
351
C
60
H
18
vasp
mse-gucc
53M
352
C
60
H
18
vasp
mse-gucc
53M
353
C
60
H
18
vasp
mse-gucc
53M
354
C
60
H
18
vasp
mse-gucc
53M
355
C
60
H
18
vasp
mse-gucc
53M
356
C
60
H
18
vasp
mse-gucc
53M
357
C
60
H
18
vasp
mse-gucc
53M
358
C
60
H
18
vasp
mse-gucc
53M
359
C
60
H
18
vasp
mse-gucc
53M
360
C
60
H
18
vasp
mse-gucc
53M
361
C
60
H
18
vasp
mse-gucc
53M
362
C
60
H
18
vasp
mse-gucc
53M
363
C
60
H
18
vasp
mse-gucc
53M
364
C
60
H
18
vasp
mse-gucc
53M
365
C
60
H
18
vasp
mse-gucc
53M
366
C
60
H
18
vasp
mse-gucc
53M
367
C
60
H
18
vasp
mse-gucc
53M
368
C
60
H
18
vasp
mse-gucc
53M
369
C
60
H
18
vasp
mse-gucc
53M
370
C
60
H
18
vasp
mse-gucc
53M
371
C
60
H
18
vasp
mse-gucc
53M
372
C
60
H
18
vasp
mse-gucc
53M
373
C
60
H
18
vasp
mse-gucc
53M
374
C
60
H
18
vasp
mse-gucc
53M
375
C
60
H
18
vasp
mse-gucc
53M
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