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 76-100 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Calculator
✕
Username
✕
Age
✕
76
C
60
H
18
vasp
mse-gucc
53M
77
C
60
H
18
vasp
mse-gucc
53M
78
C
60
H
18
vasp
mse-gucc
53M
79
C
60
H
18
vasp
mse-gucc
53M
80
C
60
H
18
vasp
mse-gucc
53M
81
C
60
H
18
vasp
mse-gucc
53M
82
C
60
H
18
vasp
mse-gucc
53M
83
C
60
H
18
vasp
mse-gucc
53M
84
C
60
H
18
vasp
mse-gucc
53M
85
C
60
H
18
vasp
mse-gucc
53M
86
C
60
H
18
vasp
mse-gucc
53M
87
C
60
H
18
vasp
mse-gucc
53M
88
C
60
H
18
vasp
mse-gucc
53M
89
C
60
H
18
vasp
mse-gucc
53M
90
C
60
H
18
vasp
mse-gucc
53M
91
C
60
H
18
vasp
mse-gucc
53M
92
C
60
H
18
vasp
mse-gucc
53M
93
C
60
H
18
vasp
mse-gucc
53M
94
C
60
H
18
vasp
mse-gucc
53M
95
C
60
H
18
vasp
mse-gucc
53M
96
C
60
H
18
vasp
mse-gucc
53M
97
C
60
H
18
vasp
mse-gucc
53M
98
C
60
H
18
vasp
mse-gucc
53M
99
C
60
H
18
vasp
mse-gucc
53M
100
C
60
H
18
vasp
mse-gucc
53M
«
1
2
3
4
5
6
7
8
...
14
15
16
17
»