Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
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
perms_num
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 51-75 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Age
✕
51
C
60
H
18
4754.604
53M
52
C
60
H
18
4371.561
53M
53
C
60
H
18
8000.000
53M
54
C
60
H
18
8000.000
53M
55
C
60
H
18
8000.000
53M
56
C
60
H
18
7542.702
53M
57
C
60
H
18
5131.390
53M
58
C
60
H
18
8000.000
53M
59
C
60
H
18
7771.967
53M
60
C
60
H
18
6701.678
53M
61
C
60
H
18
7634.580
53M
62
C
60
H
18
7667.294
53M
63
C
60
H
18
7682.687
53M
64
C
60
H
18
7721.960
53M
65
C
60
H
18
7679.189
53M
66
C
60
H
18
7821.192
53M
67
C
60
H
18
7625.606
53M
68
C
60
H
18
7729.419
53M
69
C
60
H
18
7492.515
53M
70
C
60
H
18
7771.328
53M
71
C
60
H
18
7584.493
53M
72
C
60
H
18
6626.567
53M
73
C
60
H
18
7562.596
53M
74
C
60
H
18
6506.858
53M
75
C
60
H
18
8000.000
53M
«
1
2
3
4
5
6
7
...
14
15
16
17
»