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
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
76
C
60
H
18
-593.092
77
C
60
H
18
-591.502
78
C
60
H
18
-591.422
79
C
60
H
18
-595.896
80
C
60
H
18
-592.609
81
C
60
H
18
-593.856
82
C
60
H
18
-595.938
83
C
60
H
18
-591.549
84
C
60
H
18
-596.450
85
C
60
H
18
-596.376
86
C
60
H
18
-584.608
87
C
60
H
18
-585.585
88
C
60
H
18
-595.464
89
C
60
H
18
-593.226
90
C
60
H
18
-592.500
91
C
60
H
18
-592.846
92
C
60
H
18
-591.831
93
C
60
H
18
-591.313
94
C
60
H
18
-592.214
95
C
60
H
18
-596.062
96
C
60
H
18
-595.935
97
C
60
H
18
-594.593
98
C
60
H
18
-592.310
99
C
60
H
18
-595.720
100
C
60
H
18
-593.086
«
1
2
3
4
5
6
7
8
...
14
15
16
17
»