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 526-8 out of 8
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ads_E
ads_site
atom_E
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
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Username
✕
Dipole_val
✕
Age
✕
slab_E
✕
Calculator
✕
526
hecc
-0.793
15M
-192.845
vasp
527
hecc
0.375
15M
-192.845
vasp
528
hecc
0.645
15M
-192.845
vasp
529
hecc
0.716
15M
-192.845
vasp
530
hecc
0.779
15M
-192.845
vasp
531
hecc
0.691
15M
-192.845
vasp
532
hecc
-0.008
15M
-192.845
vasp
533
hecc
-4.509
15M
-192.845
vasp
534
hecc
-2.586
15M
-192.845
vasp
535
hecc
-0.999
15M
-192.845
vasp
536
hecc
0.033
15M
-192.845
vasp
537
hecc
0.599
15M
-192.845
vasp
538
hecc
0.730
15M
-192.845
vasp
539
hecc
0.342
15M
-192.845
vasp
540
hecc
-0.060
15M
-192.845
vasp
541
hecc
0.018
15M
-192.845
vasp
542
hecc
-0.018
15M
-192.845
vasp
543
hecc
-3.363
15M
-192.845
vasp
544
hecc
-0.802
15M
-192.845
vasp
545
hecc
0.352
15M
-192.845
vasp
546
hecc
0.620
15M
-192.845
vasp
547
hecc
0.718
15M
-192.845
vasp
548
hecc
0.820
15M
-192.845
vasp
549
hecc
0.747
15M
-192.845
vasp
550
hecc
-0.010
15M
-192.845
vasp
«
1
...
»