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 526-550 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ads_E
ads_site
ASE-calculator name (calculator)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
Charge
✕
atom_E
✕
str_E
✕
Maximum stress
✕
Energy
✕
distance
✕
Age
✕
0.000
-0.039
-195.504
0.008
-195.504
1.451
15M
0.000
-0.349
-197.683
0.006
-197.683
1.151
15M
0.000
-1.250
-199.306
0.006
-199.306
0.969
15M
0.000
-3.120
-199.897
0.005
-199.897
0.961
15M
0.000
-1.530
-199.470
0.005
-199.470
1.074
15M
0.000
-0.424
-197.506
0.006
-197.506
1.412
15M
0.000
-0.013
-192.866
0.007
-192.866
3.642
15M
0.000
-0.225
-195.024
0.008
-195.024
2.382
15M
0.000
-0.004
-194.558
0.007
-194.558
2.028
15M
0.000
-0.295
-196.341
0.007
-196.341
1.816
15M
0.000
-0.830
-197.812
0.006
-197.812
1.653
15M
0.000
-1.890
-198.589
0.006
-198.589
1.587
15M
0.000
-0.945
-198.348
0.006
-198.348
1.587
15M
0.000
-0.243
-196.487
0.006
-196.487
1.825
15M
0.000
-0.025
-192.878
0.007
-192.878
3.872
15M
0.000
-1.117
-196.520
0.007
-196.520
0.924
15M
0.000
0.002
-192.846
0.007
-192.846
3.741
15M
0.000
-0.299
-195.476
0.008
-195.476
2.030
15M
0.000
-0.039
-195.497
0.007
-195.497
1.445
15M
0.000
-0.349
-197.667
0.006
-197.667
1.126
15M
0.000
-1.248
-199.261
0.005
-199.261
0.945
15M
0.000
-3.124
-199.816
0.005
-199.816
0.958
15M
0.000
-1.533
-199.380
0.006
-199.380
1.094
15M
0.000
-0.424
-197.474
0.006
-197.474
1.440
15M
0.000
-0.013
-192.866
0.007
-192.866
3.613
15M
«
1
2
3
4
5
...
18
19
20
21
22
23
24
»