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
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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
Username
✕
51
C
60
H
18
0.799
mse-gucc
52
C
60
H
18
1.598
mse-gucc
53
C
60
H
18
0.009
mse-gucc
54
C
60
H
18
0.010
mse-gucc
55
C
60
H
18
0.009
mse-gucc
56
C
60
H
18
0.201
mse-gucc
57
C
60
H
18
1.119
mse-gucc
58
C
60
H
18
0.009
mse-gucc
59
C
60
H
18
0.072
mse-gucc
60
C
60
H
18
0.637
mse-gucc
61
C
60
H
18
0.138
mse-gucc
62
C
60
H
18
0.063
mse-gucc
63
C
60
H
18
0.069
mse-gucc
64
C
60
H
18
0.076
mse-gucc
65
C
60
H
18
0.072
mse-gucc
66
C
60
H
18
0.042
mse-gucc
67
C
60
H
18
0.047
mse-gucc
68
C
60
H
18
0.026
mse-gucc
69
C
60
H
18
0.182
mse-gucc
70
C
60
H
18
0.075
mse-gucc
71
C
60
H
18
0.110
mse-gucc
72
C
60
H
18
0.709
mse-gucc
73
C
60
H
18
0.143
mse-gucc
74
C
60
H
18
0.441
mse-gucc
75
C
60
H
18
0.009
mse-gucc
«
1
2
3
4
5
6
7
...
14
15
16
17
»