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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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Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
Maximum force
✕
Username
✕
Volume
✕
perms_number
✕
Charge
✕
Age
✕
Mass
✕
PBC
✕
Maximum stress
✕
Calculator
✕
Energy
✕
0.006
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-662.610
0.008
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-663.061
0.008
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-663.088
0.009
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-663.591
0.009
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-660.954
0.007
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-661.930
0.009
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-661.101
0.010
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-662.146
0.010
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-660.986
0.010
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-661.468
0.007
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-663.243
0.009
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-663.142
0.008
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-664.200
0.010
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-664.694
0.009
hecc
8000.000
4
0.000
6y
17285.869
TTT
0.000
unknown
-662.405
0.008
hecc
8000.000
12
0.000
6y
17285.869
TTT
0.000
unknown
-664.129
0.011
hecc
8000.000
6
0.000
6y
17285.869
TTT
0.000
unknown
-661.730
0.008
hecc
8000.000
3
0.000
6y
17285.869
TTT
0.000
unknown
-660.445
0.007
hecc
8000.000
3
0.000
6y
17285.869
TTT
0.000
unknown
-660.319
0.008
hecc
8000.000
3
0.000
6y
17285.869
TTT
0.000
unknown
-661.532
0.010
hecc
8000.000
3
0.000
6y
17285.869
TTT
0.000
unknown
-661.322
0.009
hecc
8000.000
3
0.000
6y
17285.869
TTT
0.000
unknown
-661.757
0.010
hecc
8000.000
3
0.000
6y
17285.869
TTT
0.000
unknown
-662.785
0.009
hecc
8000.000
3
0.000
6y
17285.869
TTT
0.000
unknown
-661.610
0.008
hecc
8000.000
6
0.000
6y
17285.869
TTT
0.000
unknown
-658.905
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