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 76-100 out of 517
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_number
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
Username
✕
Maximum stress
✕
76
C
60
H
36
0.008
hecc
0.000
77
C
60
H
36
0.008
hecc
0.000
78
C
60
H
36
0.010
hecc
0.000
79
C
60
H
36
0.009
hecc
0.000
80
C
60
H
36
0.009
hecc
0.000
81
C
60
H
36
0.006
hecc
0.000
82
C
60
H
36
0.010
hecc
0.000
83
C
60
H
36
0.008
hecc
0.000
84
C
60
H
36
0.009
hecc
0.000
85
C
60
H
36
0.008
hecc
0.000
86
C
60
H
36
0.010
hecc
0.000
87
C
60
H
36
0.009
hecc
0.000
88
C
60
H
36
0.008
hecc
0.000
89
C
60
H
36
0.010
hecc
0.000
90
C
60
H
36
0.009
hecc
0.000
91
C
60
H
36
0.009
hecc
0.000
92
C
60
H
36
0.009
hecc
0.000
93
C
60
H
36
0.009
hecc
0.000
94
C
60
H
36
0.010
hecc
0.000
95
C
60
H
36
0.010
hecc
0.000
96
C
60
H
36
0.009
hecc
0.000
97
C
60
H
36
0.008
hecc
0.000
98
C
60
H
36
0.007
hecc
0.000
99
C
60
H
36
0.010
hecc
0.000
100
C
60
H
36
0.007
hecc
0.000
«
1
2
3
4
5
6
7
8
...
18
19
20
21
»