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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
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 1-17 out of 17
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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)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
Username
✕
Volume
✕
Maximum force
✕
Calculator
✕
Charge
✕
Age
✕
Mass
✕
PBC
✕
hecc
1350.429
0.340
vasp
0.000
6y
17285.869
TTT
hecc
1610.767
0.343
vasp
0.000
6y
17285.869
TTT
hecc
1073.421
0.278
vasp
0.000
6y
17285.869
TTT
hecc
1848.329
0.333
vasp
0.000
6y
17285.869
TTT
hecc
2127.808
0.322
vasp
0.000
6y
17285.869
TTT
hecc
799.518
0.808
vasp
0.000
6y
17285.869
TTT
hecc
1455.555
0.323
vasp
0.000
6y
17285.869
TTT
hecc
1454.769
0.543
vasp
0.000
6y
17285.869
TTT
hecc
1865.752
0.270
vasp
0.000
6y
17285.869
TTT
hecc
2119.239
0.231
vasp
0.000
6y
17285.869
TTT
hecc
2392.389
0.258
vasp
0.000
6y
17285.869
TTT
hecc
1181.800
0.292
vasp
0.000
6y
17285.869
TTT
hecc
2379.258
0.277
vasp
0.000
6y
17285.869
TTT
hecc
2646.235
0.286
vasp
0.000
6y
17285.869
TTT
hecc
1562.841
0.244
vasp
0.000
6y
17285.869
TTT
hecc
1323.935
0.279
vasp
0.000
6y
17285.869
TTT
hecc
1585.469
0.252
vasp
0.000
6y
17285.869
TTT
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