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