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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 426-450 out of 594
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ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
Maximum stress on unit cell (smax)
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
slab_E
✕
Dipole_val
✕
Volume
✕
426
-190.592
-2.159
1730.483
427
-190.592
-0.732
1730.483
428
-190.592
0.233
1730.483
429
-190.592
0.870
1730.483
430
-190.592
1.555
1730.483
431
-190.592
2.039
1730.483
432
-190.592
-0.054
1730.483
433
-190.592
0.217
1730.483
434
-190.592
-0.017
1730.483
435
-190.592
-3.491
1730.483
436
-190.592
-0.498
1730.483
437
-190.592
0.640
1730.483
438
-190.592
1.056
1730.483
439
-190.592
1.292
1730.483
440
-190.592
1.423
1730.483
441
-190.592
1.246
1730.483
442
-190.592
-0.017
1730.483
443
-190.592
-4.704
1730.483
444
-190.592
-2.154
1730.483
445
-190.592
-0.567
1730.483
446
-190.592
0.308
1730.483
447
-190.592
0.900
1730.483
448
-190.592
1.263
1730.483
449
-190.592
1.071
1730.483
450
-190.592
-0.057
1730.483
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