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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 351-375 out of 414
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VASP file
last_column file
Convex Diagram
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Total energy (energy)
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
✕
Volume
✕
Mass
✕
PBC
✕
Charge
✕
Age
✕
Maximum stress
✕
Calculator
✕
0.010
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.090
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.094
mse-gucc
1
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.015
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.259
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.183
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.013
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.207
mse-gucc
2
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.180
mse-gucc
1
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.072
mse-gucc
2
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.015
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.016
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.019
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.021
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.033
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.017
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.020
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.031
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.011
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.014
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.011
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.009
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.006
mse-gucc
24
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.016
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
0.009
mse-gucc
6
8000.000
17285.869
TTT
0.000
6y
0.000
vasp
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