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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
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 501-525 out of 2180
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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
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
Mass
✕
501
C
60
H
36
0.000
756.948
502
C
60
H
36
0.000
756.948
503
C
60
H
36
0.000
756.948
504
C
60
H
36
0.000
756.948
505
C
60
H
36
0.000
756.948
506
C
60
H
36
0.000
756.948
507
C
60
H
36
0.000
756.948
508
C
60
H
36
0.000
756.948
509
C
60
H
36
0.000
756.948
510
C
60
H
36
0.000
756.948
511
C
60
H
36
0.000
756.948
512
C
60
H
36
0.000
756.948
513
C
60
H
36
0.000
756.948
514
C
60
H
36
0.000
756.948
515
C
60
H
36
0.000
756.948
516
C
60
H
36
0.000
756.948
517
C
60
H
36
0.000
756.948
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