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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 51-75 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)
Rows: 25
10
25
50
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200
Maximum force
✕
Username
✕
perms_num
✕
Calculator
✕
Charge
✕
Age
✕
Mass
✕
PBC
✕
Volume
✕
Energy
✕
Maximum stress
✕
0.770
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3804.062
-618.917
0.005
0.641
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4032.544
-616.601
0.001
0.770
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3767.061
-620.770
0.002
0.608
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4232.362
-617.658
0.000
0.301
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7057.543
-614.750
0.000
0.787
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4210.184
-613.321
0.002
0.505
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4304.360
-619.258
0.001
1.221
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3431.667
-618.538
0.009
0.219
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7144.651
-618.127
0.000
0.353
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6228.252
-616.007
0.000
1.193
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
5573.402
-615.009
0.001
0.035
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7738.292
-616.879
0.000
0.965
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
5786.753
-615.817
0.000
0.239
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7344.141
-614.300
0.000
1.387
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3861.121
-616.058
0.011
0.613
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4849.195
-615.529
0.000
0.622
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
5775.214
-614.949
0.000
0.566
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6257.126
-614.716
0.000
0.087
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7657.507
-622.116
0.000
0.723
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6015.106
-619.194
0.001
0.883
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4976.585
-621.486
0.001
1.256
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
5404.239
-618.450
0.002
1.578
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3898.493
-617.512
0.001
0.429
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
5047.190
-619.864
0.000
1.136
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3640.236
-619.124
0.002
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