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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 26-50 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
✕
1.485
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
4647.561
-617.979
1.470
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3336.302
-620.680
0.009
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
8000.000
-618.367
0.006
mse-gucc
4
vasp
0.000
6y
17285.869
TTT
8000.000
-618.766
38.633
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
662.867
-401.173
0.575
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
4965.938
-622.867
0.892
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
5231.929
-618.225
0.010
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
8000.000
-619.974
0.560
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4371.168
-624.312
0.978
mse-gucc
4
vasp
0.000
6y
17285.869
TTT
4247.095
-619.092
14.719
mse-gucc
4
vasp
0.000
6y
17285.869
TTT
1655.683
-570.853
0.234
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6986.559
-616.110
0.170
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
7770.714
-619.846
0.365
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
4210.023
-620.495
0.008
mse-gucc
2
vasp
0.000
6y
17285.869
TTT
8000.000
-623.407
0.342
mse-gucc
4
vasp
0.000
6y
17285.869
TTT
4162.465
-619.411
1.033
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3745.303
-620.569
0.429
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3592.390
-619.368
0.554
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4118.665
-616.709
0.830
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3946.720
-620.662
1.270
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4850.009
-616.772
1.014
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6482.213
-618.153
0.726
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3975.722
-619.086
1.096
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4696.382
-620.958
952.982
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
372.574
718.513
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