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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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Database file
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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)
mean_energy
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
Maximum force
✕
Username
✕
Volume
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
C_rate
✕
Maximum stress
✕
Calculator
✕
gap
✕
0.007
mse-gucc
94.599
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.303
0.009
mse-gucc
94.269
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.847
0.007
mse-gucc
94.661
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.969
0.006
mse-gucc
94.593
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.996
0.009
mse-gucc
97.304
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.455
0.009
mse-gucc
95.287
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.507
0.007
mse-gucc
94.778
0.000
6y
TTT
17285.869
0.500
0.000
vasp
2.025
0.008
mse-gucc
94.886
0.000
6y
TTT
17285.869
0.500
0.000
vasp
2.257
0.007
mse-gucc
95.695
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.860
0.006
mse-gucc
95.674
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.681
0.009
mse-gucc
96.374
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.618
0.009
mse-gucc
94.886
0.000
6y
TTT
17285.869
0.500
0.000
vasp
2.254
0.007
mse-gucc
95.070
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.520
0.004
mse-gucc
94.946
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.668
0.007
mse-gucc
95.703
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.553
0.008
mse-gucc
95.422
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.353
0.006
mse-gucc
94.963
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.919
0.009
mse-gucc
95.554
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.254
0.008
mse-gucc
94.904
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.808
0.009
mse-gucc
95.712
0.000
6y
TTT
17285.869
0.500
0.000
vasp
2.375
0.007
mse-gucc
96.913
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.518
0.011
mse-gucc
96.186
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.542
0.008
mse-gucc
94.945
0.000
6y
TTT
17285.869
0.500
0.000
vasp
2.767
0.008
mse-gucc
95.437
0.000
6y
TTT
17285.869
0.500
0.000
vasp
1.239
0.010
mse-gucc
96.599
0.000
6y
TTT
17285.869
0.500
0.000
vasp
0.568
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