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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 101-125 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
96.601
17285.869
6y
TTT
0.512
0.000
vasp
0.375
0.000
mse-gucc
95.202
17285.869
6y
TTT
2.486
0.000
vasp
0.375
0.000
mse-gucc
95.305
17285.869
6y
TTT
2.401
0.000
vasp
0.375
0.000
mse-gucc
95.523
17285.869
6y
TTT
1.679
0.000
vasp
0.375
0.000
mse-gucc
96.260
17285.869
6y
TTT
0.901
0.000
vasp
0.375
0.000
mse-gucc
95.789
17285.869
6y
TTT
1.500
0.000
vasp
0.375
0.000
mse-gucc
96.415
17285.869
6y
TTT
0.836
0.000
vasp
0.375
0.000
mse-gucc
95.715
17285.869
6y
TTT
1.559
0.000
vasp
0.375
0.000
mse-gucc
95.908
17285.869
6y
TTT
1.594
0.000
vasp
0.375
0.000
mse-gucc
95.728
17285.869
6y
TTT
1.683
0.000
vasp
0.375
0.000
mse-gucc
95.336
17285.869
6y
TTT
1.851
0.000
vasp
0.375
0.000
mse-gucc
95.352
17285.869
6y
TTT
1.917
0.000
vasp
0.375
0.000
mse-gucc
94.973
17285.869
6y
TTT
2.674
0.000
vasp
0.375
0.000
mse-gucc
96.080
17285.869
6y
TTT
1.196
0.000
vasp
0.375
0.000
mse-gucc
96.036
17285.869
6y
TTT
2.502
0.000
vasp
0.250
0.000
mse-gucc
95.936
17285.869
6y
TTT
1.723
0.000
vasp
0.250
0.000
mse-gucc
96.337
17285.869
6y
TTT
1.464
0.000
vasp
0.250
0.000
mse-gucc
95.537
17285.869
6y
TTT
2.493
0.000
vasp
0.250
0.000
mse-gucc
96.752
17285.869
6y
TTT
1.209
0.000
vasp
0.250
0.000
mse-gucc
95.489
17285.869
6y
TTT
3.047
0.000
vasp
0.250
0.000
mse-gucc
95.164
17285.869
6y
TTT
3.176
0.000
vasp
0.250
0.000
mse-gucc
95.778
17285.869
6y
TTT
2.688
0.000
vasp
0.250
0.000
mse-gucc
95.877
17285.869
6y
TTT
2.702
0.000
vasp
0.250
0.001
mse-gucc
95.524
17285.869
6y
TTT
3.279
0.000
vasp
0.125
0.000
mse-gucc
95.905
17285.869
6y
TTT
3.081
0.000
vasp
0.125
0.000
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