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
Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
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)
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
✕
plane_index
✕
Calculator
✕
Charge
✕
Energy
✕
51
100
vasp
0.000
-168.614
52
100
vasp
0.000
-168.287
53
100
vasp
0.000
-167.708
54
100
vasp
0.000
-165.092
55
110
vasp
0.000
-221.327
56
110
vasp
0.000
-218.530
57
110
vasp
0.000
-221.779
58
110
vasp
0.000
-222.351
59
110
vasp
0.000
-223.965
60
110
vasp
0.000
-224.158
61
110
vasp
0.000
-223.660
62
110
vasp
0.000
-223.013
63
110
vasp
0.000
-221.958
64
110
vasp
0.000
-218.548
65
110
vasp
0.000
-221.255
66
110
vasp
0.000
-221.237
67
110
vasp
0.000
-223.165
68
110
vasp
0.000
-224.334
69
110
vasp
0.000
-224.246
70
110
vasp
0.000
-222.981
71
110
vasp
0.000
-221.174
72
110
vasp
0.000
-218.555
73
110
vasp
0.000
-221.601
74
110
vasp
0.000
-218.530
75
110
vasp
0.000
-221.672
«
1
2
3
4
5
6
7
...
21
22
23
24
»