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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 76-100 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
100
200
Maximum force
✕
Username
✕
perms_num
✕
Volume
✕
Mass
✕
PBC
✕
Charge
✕
Age
✕
Maximum stress
✕
Calculator
✕
1.274
mse-gucc
1
6157.433
17285.869
TTT
0.000
6y
0.000
vasp
0.286
mse-gucc
1
7078.357
17285.869
TTT
0.000
6y
0.000
vasp
0.880
mse-gucc
1
4219.114
17285.869
TTT
0.000
6y
0.001
vasp
0.532
mse-gucc
1
5641.114
17285.869
TTT
0.000
6y
0.000
vasp
0.064
mse-gucc
1
7793.170
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
0.914
mse-gucc
1
6493.137
17285.869
TTT
0.000
6y
0.000
vasp
0.541
mse-gucc
1
4613.751
17285.869
TTT
0.000
6y
0.001
vasp
0.838
mse-gucc
1
3004.768
17285.869
TTT
0.000
6y
0.002
vasp
0.320
mse-gucc
1
6831.607
17285.869
TTT
0.000
6y
0.000
vasp
0.202
mse-gucc
1
7335.994
17285.869
TTT
0.000
6y
0.000
vasp
0.709
mse-gucc
1
3334.367
17285.869
TTT
0.000
6y
0.001
vasp
0.009
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
0.720
mse-gucc
1
3477.158
17285.869
TTT
0.000
6y
0.001
vasp
0.349
mse-gucc
1
4054.314
17285.869
TTT
0.000
6y
0.000
vasp
0.200
mse-gucc
1
7229.443
17285.869
TTT
0.000
6y
0.000
vasp
0.867
mse-gucc
1
4402.130
17285.869
TTT
0.000
6y
0.004
vasp
0.847
mse-gucc
1
5693.029
17285.869
TTT
0.000
6y
0.001
vasp
0.249
mse-gucc
1
6751.488
17285.869
TTT
0.000
6y
0.000
vasp
0.567
mse-gucc
1
4619.975
17285.869
TTT
0.000
6y
0.001
vasp
1.662
mse-gucc
1
4725.147
17285.869
TTT
0.000
6y
0.001
vasp
0.451
mse-gucc
1
6905.925
17285.869
TTT
0.000
6y
0.000
vasp
0.745
mse-gucc
1
4217.401
17285.869
TTT
0.000
6y
0.000
vasp
0.108
mse-gucc
1
7398.930
17285.869
TTT
0.000
6y
0.000
vasp
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