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SAGAR
Database
MATLAB-code
ASE database
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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
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
perms_num
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 1-25 out of 414
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VASP file
last_column file
Convex Diagram
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Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
Maximum force
✕
Username
✕
perms_num
✕
Calculator
✕
Charge
✕
Age
✕
Mass
✕
PBC
✕
Volume
✕
Energy
✕
0.074
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7652.244
-618.428
0.411
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
5086.352
-621.687
0.940
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
5099.068
-618.311
0.807
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4496.830
-621.514
0.273
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7807.719
-619.817
0.991
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
4132.325
-623.329
0.497
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6310.179
-621.997
10.605
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
1365.100
-553.820
0.029
mse-gucc
4
vasp
0.000
6y
17285.869
TTT
7815.418
-620.528
0.805
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
5994.587
-621.168
0.009
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
8000.000
-620.785
0.099
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
7380.108
-621.324
0.787
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
4421.837
-618.480
0.581
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
5343.978
-619.357
0.420
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
5115.069
-618.815
14.369
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
1456.903
-552.041
0.564
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
6363.060
-617.670
0.009
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
8000.000
-616.418
10.655
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
1435.733
-554.813
0.552
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
4242.784
-620.064
0.764
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4819.303
-619.128
0.290
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
7132.046
-618.747
0.473
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
4067.095
-620.154
0.268
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7466.286
-619.367
0.669
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
6167.320
-620.729
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