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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 26-50 out of 517
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Time since creation (age)
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)
perms_number
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Formula
✕
PBC
✕
Calculator
✕
26
C
60
H
36
TTT
unknown
27
C
60
H
36
TTT
unknown
28
C
60
H
36
TTT
unknown
29
C
60
H
36
TTT
unknown
30
C
60
H
36
TTT
unknown
31
C
60
H
36
TTT
unknown
32
C
60
H
36
TTT
unknown
33
C
60
H
36
TTT
unknown
34
C
60
H
36
TTT
unknown
35
C
60
H
36
TTT
unknown
36
C
60
H
36
TTT
unknown
37
C
60
H
36
TTT
unknown
38
C
60
H
36
TTT
unknown
39
C
60
H
36
TTT
unknown
40
C
60
H
36
TTT
unknown
41
C
60
H
36
TTT
unknown
42
C
60
H
36
TTT
unknown
43
C
60
H
36
TTT
unknown
44
C
60
H
36
TTT
unknown
45
C
60
H
36
TTT
unknown
46
C
60
H
36
TTT
unknown
47
C
60
H
36
TTT
unknown
48
C
60
H
36
TTT
unknown
49
C
60
H
36
TTT
unknown
50
C
60
H
36
TTT
unknown
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