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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 76-100 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
95.244
17285.869
6y
TTT
1.901
0.000
vasp
0.500
0.000
mse-gucc
95.340
17285.869
6y
TTT
1.135
0.000
vasp
0.500
0.000
mse-gucc
95.729
17285.869
6y
TTT
0.717
0.000
vasp
0.500
0.000
mse-gucc
95.398
17285.869
6y
TTT
1.248
0.000
vasp
0.500
0.000
mse-gucc
97.524
17285.869
6y
TTT
0.519
0.000
vasp
0.500
0.000
mse-gucc
94.918
17285.869
6y
TTT
1.836
0.000
vasp
0.500
0.000
mse-gucc
95.750
17285.869
6y
TTT
0.689
0.000
vasp
0.500
0.000
mse-gucc
95.861
17285.869
6y
TTT
1.371
0.000
vasp
0.500
0.000
mse-gucc
96.407
17285.869
6y
TTT
0.020
0.000
vasp
0.500
0.000
mse-gucc
94.866
17285.869
6y
TTT
2.099
0.000
vasp
0.500
0.000
mse-gucc
94.162
17285.869
6y
TTT
3.824
0.000
vasp
0.500
0.000
mse-gucc
95.772
17285.869
6y
TTT
0.905
0.000
vasp
0.500
0.000
mse-gucc
98.222
17285.869
6y
TTT
0
0.000
vasp
0.500
0.000
mse-gucc
94.770
17285.869
6y
TTT
2.362
0.000
vasp
0.500
0.000
mse-gucc
95.099
17285.869
6y
TTT
2.358
0.000
vasp
0.500
0.000
mse-gucc
95.366
17285.869
6y
TTT
1.008
0.000
vasp
0.500
0.000
mse-gucc
95.574
17285.869
6y
TTT
0.880
0.000
vasp
0.500
0.000
mse-gucc
95.198
17285.869
6y
TTT
1.418
0.000
vasp
0.500
0.000
mse-gucc
95.257
17285.869
6y
TTT
1.585
0.000
vasp
0.500
0.001
mse-gucc
94.554
17285.869
6y
TTT
2.464
0.000
vasp
0.500
0.000
mse-gucc
96.967
17285.869
6y
TTT
0.450
0.000
vasp
0.375
0.000
mse-gucc
95.672
17285.869
6y
TTT
1.925
0.000
vasp
0.375
0.000
mse-gucc
95.758
17285.869
6y
TTT
2.427
0.000
vasp
0.375
0.000
mse-gucc
95.341
17285.869
6y
TTT
2.234
0.000
vasp
0.375
0.000
mse-gucc
96.540
17285.869
6y
TTT
0.766
0.000
vasp
0.375
0.000
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