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 576-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_site
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
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)
slab_E
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Energy
✕
Maximum stress
✕
Age
✕
Volume
✕
plane_index
✕
ads_E
✕
576
-192.880
0.007
13M
1730.483
111
-0.009
577
-195.885
0.007
13M
1730.483
111
-1.923
578
-192.846
0.007
13M
1730.483
111
-0.003
579
-195.366
0.008
13M
1730.483
111
-2.222
580
-194.841
0.008
13M
1730.483
111
-1.956
581
-196.257
0.007
13M
1730.483
111
-3.063
582
-197.311
0.008
13M
1730.483
111
-3.219
583
-197.708
0.007
13M
1730.483
111
-1.739
584
-197.707
0.007
13M
1730.483
111
-3.329
585
-197.040
0.006
13M
1730.483
111
-3.771
586
-192.865
0.007
13M
1730.483
111
-0.007
587
-194.968
0.008
13M
1730.483
111
-1.898
588
-194.352
0.008
13M
1730.483
111
-1.504
589
-195.938
0.007
13M
1730.483
111
-2.799
590
-197.142
0.008
13M
1730.483
111
-3.467
591
-197.546
0.008
13M
1730.483
111
-2.813
592
-197.153
0.008
13M
1730.483
111
-3.363
593
-196.079
0.006
13M
1730.483
111
-2.991
594
-192.878
0.007
13M
1730.483
111
-0.007
«
1
...
»