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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
JSON file
VASP file
last_column file
Convex Diagram
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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
✕
Energy
✕
0.015
mse-gucc
95.380
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.802
-133.654
0.007
mse-gucc
94.231
0.000
6y
TTT
17285.869
0.625
0.000
vasp
2.561
-137.538
0.006
mse-gucc
95.145
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.335
-134.492
0.010
mse-gucc
95.419
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.561
-133.096
0.005
mse-gucc
94.144
0.000
6y
TTT
17285.869
0.625
0.000
vasp
2.078
-138.028
0.006
mse-gucc
94.741
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.166
-135.581
0.007
mse-gucc
94.271
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.899
-136.981
0.009
mse-gucc
95.097
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.422
-134.246
0.005
mse-gucc
94.450
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.247
-136.616
0.008
mse-gucc
94.565
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.240
-136.045
0.006
mse-gucc
94.316
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.343
-137.031
0.010
mse-gucc
94.970
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.914
-135.294
0.006
mse-gucc
94.810
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.235
-135.610
0.007
mse-gucc
96.276
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.023
-130.128
0.031
mse-gucc
93.896
0.000
6y
TTT
17285.869
0.625
0.000
vasp
2.757
-139.026
0.010
mse-gucc
95.462
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.061
-133.536
0.008
mse-gucc
95.073
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.008
-134.821
0.009
mse-gucc
95.360
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.691
-133.286
0.007
mse-gucc
94.447
0.000
6y
TTT
17285.869
0.625
0.000
vasp
2.031
-137.027
0.009
mse-gucc
94.594
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.648
-135.979
0.007
mse-gucc
95.320
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.087
-133.930
0.007
mse-gucc
94.647
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.950
-135.987
0.006
mse-gucc
95.874
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.123
-132.310
0.009
mse-gucc
94.859
0.000
6y
TTT
17285.869
0.625
0.000
vasp
0.820
-135.304
0.007
mse-gucc
94.677
0.000
6y
TTT
17285.869
0.625
0.000
vasp
1.110
-135.624
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