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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 26-50 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)
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
95.380
17285.869
6y
TTT
0.802
0.000
vasp
0.625
0.000
mse-gucc
94.231
17285.869
6y
TTT
2.561
0.000
vasp
0.625
0.000
mse-gucc
95.145
17285.869
6y
TTT
1.335
0.000
vasp
0.625
0.000
mse-gucc
95.419
17285.869
6y
TTT
0.561
0.000
vasp
0.625
0.000
mse-gucc
94.144
17285.869
6y
TTT
2.078
0.000
vasp
0.625
0.000
mse-gucc
94.741
17285.869
6y
TTT
1.166
0.000
vasp
0.625
0.000
mse-gucc
94.271
17285.869
6y
TTT
1.899
0.000
vasp
0.625
0.000
mse-gucc
95.097
17285.869
6y
TTT
0.422
0.000
vasp
0.625
0.000
mse-gucc
94.450
17285.869
6y
TTT
1.247
0.000
vasp
0.625
0.000
mse-gucc
94.565
17285.869
6y
TTT
1.240
0.000
vasp
0.625
0.000
mse-gucc
94.316
17285.869
6y
TTT
1.343
0.000
vasp
0.625
0.000
mse-gucc
94.970
17285.869
6y
TTT
0.914
0.000
vasp
0.625
0.000
mse-gucc
94.810
17285.869
6y
TTT
1.235
0.000
vasp
0.625
0.000
mse-gucc
96.276
17285.869
6y
TTT
0.023
0.000
vasp
0.625
0.000
mse-gucc
93.896
17285.869
6y
TTT
2.757
0.000
vasp
0.625
0.000
mse-gucc
95.462
17285.869
6y
TTT
0.061
0.000
vasp
0.625
0.000
mse-gucc
95.073
17285.869
6y
TTT
0.008
0.000
vasp
0.625
0.000
mse-gucc
95.360
17285.869
6y
TTT
0.691
0.000
vasp
0.625
0.000
mse-gucc
94.447
17285.869
6y
TTT
2.031
0.000
vasp
0.625
0.000
mse-gucc
94.594
17285.869
6y
TTT
1.648
0.000
vasp
0.625
0.000
mse-gucc
95.320
17285.869
6y
TTT
0.087
0.000
vasp
0.625
0.000
mse-gucc
94.647
17285.869
6y
TTT
1.950
0.000
vasp
0.625
0.000
mse-gucc
95.874
17285.869
6y
TTT
0.123
0.000
vasp
0.625
0.000
mse-gucc
94.859
17285.869
6y
TTT
0.820
0.000
vasp
0.625
0.000
mse-gucc
94.677
17285.869
6y
TTT
1.110
0.000
vasp
0.625
0.000
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