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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 76-100 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
✕
1.274
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6157.433
-619.865
0.286
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7078.357
-617.176
0.880
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4219.114
-619.735
0.532
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
5641.114
-621.057
0.064
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7793.170
-617.047
0.008
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
8000.000
-621.191
0.914
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6493.137
-620.472
0.541
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4613.751
-619.942
0.838
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3004.768
-617.090
0.320
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6831.607
-617.042
0.202
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7335.994
-616.436
0.709
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3334.367
-619.617
0.009
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
8000.000
-618.900
0.009
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
8000.000
-616.375
0.720
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
3477.158
-620.138
0.349
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4054.314
-619.719
0.200
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7229.443
-621.695
0.867
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4402.130
-623.135
0.847
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
5693.029
-622.492
0.249
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6751.488
-620.151
0.567
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4619.975
-619.774
1.662
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4725.147
-619.617
0.451
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
6905.925
-617.687
0.745
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
4217.401
-621.312
0.108
mse-gucc
1
vasp
0.000
6y
17285.869
TTT
7398.930
-620.403
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