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 101-31 out of 31
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Dipole_val
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
plane_index
slab_E
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
distance
✕
Age
✕
ads_site
✕
atom_E
✕
str_E
✕
PBC
✕
Mass
✕
ads_E
✕
2.409
13M
1b
-0.225
-220.823
TTT
17285.869
-2.072
1.938
13M
1b
-0.004
-220.273
TTT
17285.869
-1.742
1.701
13M
1b
-0.295
-222.069
TTT
17285.869
-3.248
1.560
13M
1b
-0.830
-223.274
TTT
17285.869
-3.917
1.549
13M
1b
-1.888
-223.458
TTT
17285.869
-3.043
1.636
13M
1b
-0.945
-223.028
TTT
17285.869
-3.556
1.936
13M
1b
-0.243
-221.679
TTT
17285.869
-2.909
3.439
13M
1b
-0.025
-218.551
TTT
17285.869
0.002
1.599
13M
0t
-1.117
-221.776
TTT
17285.869
-2.132
3.610
13M
0t
0.002
-218.530
TTT
17285.869
-0.005
2.237
13M
0t
-0.299
-221.011
TTT
17285.869
-2.185
2.078
13M
0t
-0.039
-220.240
TTT
17285.869
-1.673
1.927
13M
0t
-0.349
-221.920
TTT
17285.869
-3.045
1.835
13M
0t
-1.248
-222.605
TTT
17285.869
-2.830
1.836
13M
0t
-3.124
-222.623
TTT
17285.869
-0.972
1.889
13M
0t
-1.533
-222.603
TTT
17285.869
-2.543
2.038
13M
0t
-0.424
-222.249
TTT
17285.869
-3.298
3.629
13M
0t
-0.013
-218.546
TTT
17285.869
-0.007
2.544
13M
0t
-0.225
-220.649
TTT
17285.869
-1.897
2.384
13M
0t
-0.004
-219.792
TTT
17285.869
-1.261
2.395
13M
0t
-0.295
-221.476
TTT
17285.869
-2.655
2.136
13M
0t
-0.830
-222.175
TTT
17285.869
-2.818
2.139
13M
0t
-1.888
-222.119
TTT
17285.869
-1.704
2.212
13M
0t
-0.945
-221.946
TTT
17285.869
-2.475
2.331
13M
0t
-0.243
-221.439
TTT
17285.869
-2.669
«
1
2
»