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 51-75 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ads_E
ads_site
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Magnetic moment
✕
atom_E
✕
plane_index
✕
Dipole_val
✕
51
-0.002
-1.888
100
0.133
52
-0.000
-0.945
100
1.591
53
-0.000
-0.243
100
2.287
54
0.000
-0.025
100
-0.102
55
0.000
-1.117
110
-0.181
56
0.000
0.002
110
-0.016
57
-0.000
-0.299
110
-1.996
58
0.000
-0.039
110
-0.158
59
0.000
-0.349
110
0.170
60
-0.000
-1.248
110
0.284
61
0.000
-3.124
110
0.438
62
-0.000
-1.533
110
0.578
63
-0.000
-0.424
110
1.101
64
0.000
-0.013
110
-0.007
65
0.000
-0.225
110
-3.683
66
-0.000
-0.004
110
-1.984
67
-0.000
-0.295
110
-0.572
68
0.000
-0.830
110
-0.022
69
-0.000
-1.888
110
0.189
70
0.000
-0.945
110
0.303
71
0.000
-0.243
110
1.191
72
0.000
-0.025
110
-0.072
73
0.000
-1.117
110
-0.028
74
-0.000
0.002
110
-0.021
75
0.000
-0.299
110
-2.222
«
1
2
3
4
5
6
7
...
21
22
23
24
»