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SAGAR
Database
MATLAB-code
ASE database
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C_rate
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
gap
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
mean_energy
natoms
Number of atoms
pbc
Periodic boundary conditions
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 51-75 out of 127
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VASP file
last_column file
Convex Diagram
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Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
mean_energy
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
Username
✕
Volume
✕
Mass
✕
Age
✕
PBC
✕
gap
✕
Charge
✕
Calculator
✕
C_rate
✕
Maximum stress
✕
mse-gucc
94.599
17285.869
6y
TTT
1.303
0.000
vasp
0.625
0.000
mse-gucc
94.269
17285.869
6y
TTT
1.847
0.000
vasp
0.625
0.000
mse-gucc
94.661
17285.869
6y
TTT
0.969
0.000
vasp
0.625
0.000
mse-gucc
94.593
17285.869
6y
TTT
1.996
0.000
vasp
0.625
0.000
mse-gucc
97.304
17285.869
6y
TTT
0.455
0.000
vasp
0.500
0.000
mse-gucc
95.287
17285.869
6y
TTT
1.507
0.000
vasp
0.500
0.000
mse-gucc
94.778
17285.869
6y
TTT
2.025
0.000
vasp
0.500
0.000
mse-gucc
94.886
17285.869
6y
TTT
2.257
0.000
vasp
0.500
0.000
mse-gucc
95.695
17285.869
6y
TTT
0.860
0.000
vasp
0.500
0.000
mse-gucc
95.674
17285.869
6y
TTT
0.681
0.000
vasp
0.500
0.000
mse-gucc
96.374
17285.869
6y
TTT
0.618
0.000
vasp
0.500
0.000
mse-gucc
94.886
17285.869
6y
TTT
2.254
0.000
vasp
0.500
0.000
mse-gucc
95.070
17285.869
6y
TTT
1.520
0.000
vasp
0.500
0.000
mse-gucc
94.946
17285.869
6y
TTT
1.668
0.000
vasp
0.500
0.000
mse-gucc
95.703
17285.869
6y
TTT
0.553
0.000
vasp
0.500
0.000
mse-gucc
95.422
17285.869
6y
TTT
1.353
0.000
vasp
0.500
0.000
mse-gucc
94.963
17285.869
6y
TTT
1.919
0.000
vasp
0.500
0.000
mse-gucc
95.554
17285.869
6y
TTT
1.254
0.000
vasp
0.500
0.000
mse-gucc
94.904
17285.869
6y
TTT
1.808
0.000
vasp
0.500
0.000
mse-gucc
95.712
17285.869
6y
TTT
2.375
0.000
vasp
0.500
0.000
mse-gucc
96.913
17285.869
6y
TTT
0.518
0.000
vasp
0.500
0.000
mse-gucc
96.186
17285.869
6y
TTT
0.542
0.000
vasp
0.500
0.000
mse-gucc
94.945
17285.869
6y
TTT
2.767
0.000
vasp
0.500
0.000
mse-gucc
95.437
17285.869
6y
TTT
1.239
0.000
vasp
0.500
0.000
mse-gucc
96.599
17285.869
6y
TTT
0.568
0.000
vasp
0.500
0.000
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