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 76-31 out of 31
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Number of atoms (natoms)
slab_E
Rows: 25
10
25
50
100
200
atom_E
✕
distance
✕
Energy
✕
Dipole_val
✕
ads_E
✕
Volume
✕
plane_index
✕
PBC
✕
Mass
✕
Username
✕
Magnetic moment
✕
Age
✕
ads_site
✕
Maximum stress
✕
str_E
✕
-0.039
0.376
-222.247
-0.299
-3.681
3649.858
110
TTT
17285.869
hecc
0.000
13M
3b
0.013
-222.247
-0.349
0.004
-224.037
0.021
-5.161
3649.858
110
TTT
17285.869
hecc
0.000
13M
3b
0.012
-224.037
-1.248
-0.057
-224.356
0.079
-4.581
3649.858
110
TTT
17285.869
hecc
0.000
13M
3b
0.011
-224.356
-3.124
1.019
-223.581
0.957
-1.930
3649.858
110
TTT
17285.869
hecc
0.000
13M
3b
0.012
-223.581
-1.533
1.128
-223.229
1.357
-3.169
3649.858
110
TTT
17285.869
hecc
-0.000
13M
3b
0.012
-223.229
-0.424
1.287
-222.245
1.379
-3.294
3649.858
110
TTT
17285.869
hecc
0.000
13M
3b
0.012
-222.245
-0.013
3.219
-218.548
-0.009
-0.009
3649.858
110
TTT
17285.869
hecc
0.000
13M
3b
0.013
-218.548
-0.225
1.783
-221.145
-3.991
-2.393
3649.858
110
TTT
17285.869
hecc
-0.000
13M
3b
0.014
-221.145
-0.004
1.048
-220.986
-2.085
-2.455
3649.858
110
TTT
17285.869
hecc
-0.000
13M
3b
0.013
-220.986
-0.295
0.555
-222.861
-0.667
-4.039
3649.858
110
TTT
17285.869
hecc
0.000
13M
3b
0.013
-222.861
-0.830
0.496
-223.955
-0.217
-4.598
3649.858
110
TTT
17285.869
hecc
-0.000
13M
3b
0.013
-223.955
-1.888
0.638
-223.843
-0.015
-3.429
3649.858
110
TTT
17285.869
hecc
-0.000
13M
3b
0.012
-223.843
-0.945
1.456
-222.907
0.997
-3.435
3649.858
110
TTT
17285.869
hecc
-0.000
13M
3b
0.012
-222.907
-0.243
1.702
-221.497
1.110
-2.727
3649.858
110
TTT
17285.869
hecc
-0.000
13M
3b
0.012
-221.497
-0.025
3.199
-218.552
-0.110
0.000
3649.858
110
TTT
17285.869
hecc
-0.000
13M
3b
0.013
-218.552
-1.117
1.011
-221.957
0.080
-2.313
3649.858
110
TTT
17285.869
hecc
0.000
13M
1b
0.013
-221.957
0.002
3.531
-218.530
-0.023
-0.005
3649.858
110
TTT
17285.869
hecc
0.000
13M
1b
0.013
-218.530
-0.299
2.014
-221.258
-4.421
-2.432
3649.858
110
TTT
17285.869
hecc
-0.000
13M
1b
0.014
-221.258
-0.039
0.794
-221.998
-1.284
-3.432
3649.858
110
TTT
17285.869
hecc
-0.000
13M
1b
0.012
-221.998
-0.349
-1.286
-224.163
-0.273
-5.288
3649.858
110
TTT
17285.869
hecc
-0.000
13M
1b
0.012
-224.163
-1.248
0.883
-224.114
0.571
-4.339
3649.858
110
TTT
17285.869
hecc
-0.000
13M
1b
0.012
-224.114
-3.124
1.085
-223.914
1.173
-2.263
3649.858
110
TTT
17285.869
hecc
0.000
13M
1b
0.013
-223.914
-1.533
1.199
-223.523
1.637
-3.463
3649.858
110
TTT
17285.869
hecc
-0.000
13M
1b
0.013
-223.523
-0.424
1.545
-222.402
1.741
-3.451
3649.858
110
TTT
17285.869
hecc
-0.000
13M
1b
0.013
-222.402
-0.013
3.558
-218.547
-0.015
-0.007
3649.858
110
TTT
17285.869
hecc
-0.000
13M
1b
0.013
-218.547
«
1
2
»