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ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
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
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 551-8 out of 8
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Dipole_val
ads_E
ads_site
Time since creation (age)
Net charge in unit cell (charge)
distance
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
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ID
✕
Mass
✕
Volume
✕
atom_E
✕
Calculator
✕
PBC
✕
Maximum force
✕
551
17285.869
1730.483
-0.225
vasp
TTT
0.009
552
17285.869
1730.483
-0.004
vasp
TTT
0.005
553
17285.869
1730.483
-0.295
vasp
TTT
0.008
554
17285.869
1730.483
-0.830
vasp
TTT
0.009
555
17285.869
1730.483
-1.888
vasp
TTT
0.004
556
17285.869
1730.483
-0.945
vasp
TTT
0.009
557
17285.869
1730.483
-0.243
vasp
TTT
0.009
558
17285.869
1730.483
-0.025
vasp
TTT
0.009
559
17285.869
1730.483
-1.120
vasp
TTT
0.006
560
17285.869
1730.483
0.002
vasp
TTT
0.006
561
17285.869
1730.483
-0.299
vasp
TTT
0.007
562
17285.869
1730.483
-0.039
vasp
TTT
0.009
563
17285.869
1730.483
-0.349
vasp
TTT
0.008
564
17285.869
1730.483
-1.250
vasp
TTT
0.010
565
17285.869
1730.483
-3.120
vasp
TTT
0.008
566
17285.869
1730.483
-1.530
vasp
TTT
0.007
567
17285.869
1730.483
-0.424
vasp
TTT
0.009
568
17285.869
1730.483
-0.013
vasp
TTT
0.007
569
17285.869
1730.483
-0.225
vasp
TTT
0.006
570
17285.869
1730.483
-0.004
vasp
TTT
0.010
571
17285.869
1730.483
-0.295
vasp
TTT
0.010
572
17285.869
1730.483
-0.830
vasp
TTT
0.010
573
17285.869
1730.483
-1.890
vasp
TTT
0.006
574
17285.869
1730.483
-0.945
vasp
TTT
0.008
575
17285.869
1730.483
-0.243
vasp
TTT
0.011
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