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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 101-125 out of 414
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VASP file
last_column file
Convex Diagram
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Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
50
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200
Maximum force
✕
Username
✕
perms_num
✕
Volume
✕
Mass
✕
PBC
✕
Charge
✕
Age
✕
Maximum stress
✕
Calculator
✕
0.935
mse-gucc
1
5717.472
17285.869
TTT
0.000
6y
0.001
vasp
0.110
mse-gucc
1
7459.339
17285.869
TTT
0.000
6y
0.000
vasp
1.391
mse-gucc
1
5119.733
17285.869
TTT
0.000
6y
0.003
vasp
1.001
mse-gucc
1
4886.669
17285.869
TTT
0.000
6y
0.002
vasp
0.445
mse-gucc
1
3955.772
17285.869
TTT
0.000
6y
0.001
vasp
1.057
mse-gucc
1
4104.944
17285.869
TTT
0.000
6y
0.005
vasp
0.718
mse-gucc
1
5504.026
17285.869
TTT
0.000
6y
0.001
vasp
0.817
mse-gucc
1
5029.093
17285.869
TTT
0.000
6y
0.004
vasp
0.752
mse-gucc
1
5308.214
17285.869
TTT
0.000
6y
0.000
vasp
0.364
mse-gucc
1
3636.677
17285.869
TTT
0.000
6y
0.002
vasp
13.598
mse-gucc
1
896.416
17285.869
TTT
0.000
6y
0.631
vasp
0.008
mse-gucc
1
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.010
mse-gucc
1
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.009
mse-gucc
1
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.722
mse-gucc
1
3713.968
17285.869
TTT
0.000
6y
0.001
vasp
0.356
mse-gucc
1
6647.556
17285.869
TTT
0.000
6y
0.000
vasp
0.324
mse-gucc
1
7381.713
17285.869
TTT
0.000
6y
0.000
vasp
0.166
mse-gucc
1
7334.383
17285.869
TTT
0.000
6y
0.000
vasp
0.348
mse-gucc
1
6676.130
17285.869
TTT
0.000
6y
0.000
vasp
0.164
mse-gucc
1
7768.387
17285.869
TTT
0.000
6y
0.000
vasp
0.268
mse-gucc
1
7308.251
17285.869
TTT
0.000
6y
0.000
vasp
0.010
mse-gucc
1
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.338
mse-gucc
1
4174.505
17285.869
TTT
0.000
6y
0.001
vasp
0.063
mse-gucc
1
7708.421
17285.869
TTT
0.000
6y
0.000
vasp
0.008
mse-gucc
1
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
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