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 501-525 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
Time since creation (age)
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)
plane_index
slab_E
str_E
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
Maximum stress
✕
Energy
✕
501
2163.104
0.009
-258.140
502
2163.104
0.008
-257.602
503
2163.104
0.009
-255.817
504
2163.104
0.009
-252.163
505
2163.104
0.009
-255.116
506
2163.104
0.010
-252.122
507
2163.104
0.010
-254.178
508
2163.104
0.009
-253.474
509
2163.104
0.010
-255.137
510
2163.104
0.010
-256.266
511
2163.104
0.010
-256.842
512
2163.104
0.009
-257.085
513
2163.104
0.009
-256.591
514
2163.104
0.010
-252.138
515
2163.104
0.010
-253.859
516
2163.104
0.009
-253.063
517
2163.104
0.010
-254.732
518
2163.104
0.010
-255.804
519
2163.104
0.010
-256.307
520
2163.104
0.009
-256.293
521
2163.104
0.009
-255.574
522
2163.104
0.010
-252.148
523
1730.483
0.007
-196.524
524
1730.483
0.007
-192.846
525
1730.483
0.008
-195.478
«
1
2
3
4
5
...
17
18
19
20
21
22
23
24
»