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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 551-575 out of 594
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Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
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
slab_E
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
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200
↓
ID
✕
Charge
✕
Volume
✕
str_E
✕
Username
✕
551
0.000
1730.483
-195.024
hecc
552
0.000
1730.483
-194.556
hecc
553
0.000
1730.483
-196.324
hecc
554
0.000
1730.483
-197.777
hecc
555
0.000
1730.483
-198.547
hecc
556
0.000
1730.483
-198.308
hecc
557
0.000
1730.483
-196.481
hecc
558
0.000
1730.483
-192.878
hecc
559
0.000
1730.483
-196.523
hecc
560
0.000
1730.483
-192.846
hecc
561
0.000
1730.483
-195.466
hecc
562
0.000
1730.483
-195.474
hecc
563
0.000
1730.483
-197.691
hecc
564
0.000
1730.483
-199.256
hecc
565
0.000
1730.483
-199.896
hecc
566
0.000
1730.483
-199.469
hecc
567
0.000
1730.483
-197.505
hecc
568
0.000
1730.483
-192.866
hecc
569
0.000
1730.483
-195.018
hecc
570
0.000
1730.483
-194.540
hecc
571
0.000
1730.483
-196.341
hecc
572
0.000
1730.483
-197.812
hecc
573
0.000
1730.483
-198.588
hecc
574
0.000
1730.483
-198.347
hecc
575
0.000
1730.483
-196.406
hecc
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