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
perms_number
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
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Periodic boundary conditions (pbc)
perms_number
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Number of atoms
✕
Maximum force
✕
51
C
60
H
36
8000.000
96
0.007
52
C
60
H
36
8000.000
96
0.009
53
C
60
H
36
8000.000
96
0.009
54
C
60
H
36
8000.000
96
0.009
55
C
60
H
36
8000.000
96
0.009
56
C
60
H
36
8000.000
96
0.009
57
C
60
H
36
8000.000
96
0.009
58
C
60
H
36
8000.000
96
0.008
59
C
60
H
36
8000.000
96
0.007
60
C
60
H
36
8000.000
96
0.008
61
C
60
H
36
8000.000
96
0.010
62
C
60
H
36
8000.000
96
0.009
63
C
60
H
36
8000.000
96
0.010
64
C
60
H
36
8000.000
96
0.010
65
C
60
H
36
8000.000
96
0.010
66
C
60
H
36
8000.000
96
0.008
67
C
60
H
36
8000.000
96
0.009
68
C
60
H
36
8000.000
96
0.046
69
C
60
H
36
8000.000
96
0.009
70
C
60
H
36
8000.000
96
0.008
71
C
60
H
36
8000.000
96
0.008
72
C
60
H
36
8000.000
96
0.009
73
C
60
H
36
8000.000
96
0.009
74
C
60
H
36
8000.000
96
0.008
75
C
60
H
36
8000.000
96
0.010
«
1
2
3
4
5
6
7
...
14
15
16
17
»