Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
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
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
slab_E
✕
str_E
✕
Dipole_val
✕
551
-192.845
-195.024
-4.502
552
-192.845
-194.556
-2.595
553
-192.845
-196.324
-1.006
554
-192.845
-197.777
0.043
555
-192.845
-198.547
0.624
556
-192.845
-198.308
0.764
557
-192.845
-196.481
0.388
558
-192.845
-192.878
-0.053
559
-192.845
-196.523
0.014
560
-192.845
-192.846
-0.017
561
-192.845
-195.466
-3.370
562
-192.845
-195.474
-0.736
563
-192.845
-197.691
0.322
564
-192.845
-199.256
0.460
565
-192.845
-199.896
0.716
566
-192.845
-199.469
0.781
567
-192.845
-197.505
0.687
568
-192.845
-192.866
-0.008
569
-192.845
-195.018
-4.513
570
-192.845
-194.540
-2.577
571
-192.845
-196.341
-0.999
572
-192.845
-197.812
0.034
573
-192.845
-198.588
0.602
574
-192.845
-198.347
0.738
575
-192.845
-196.406
0.581
«
1
2
3
4
5
...
19
20
21
22
23
24
»