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 326-350 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)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
Volume
✕
Number of atoms
✕
326
C
60
H
24
0.000
8000.000
84
327
C
60
H
24
0.000
8000.000
84
328
C
60
H
24
0.000
8000.000
84
329
C
60
H
24
0.000
8000.000
84
330
C
60
H
24
0.000
8000.000
84
331
C
60
H
24
0.000
8000.000
84
332
C
60
H
24
0.000
8000.000
84
333
C
60
H
24
0.000
8000.000
84
334
C
60
H
24
0.000
8000.000
84
335
C
60
H
24
0.000
8000.000
84
336
C
60
H
24
0.000
8000.000
84
337
C
60
H
24
0.000
8000.000
84
338
C
60
H
24
0.000
8000.000
84
339
C
60
H
24
0.000
8000.000
84
340
C
60
H
24
0.000
8000.000
84
341
C
60
H
24
0.000
8000.000
84
342
C
60
H
24
0.000
8000.000
84
343
C
60
H
24
0.000
8000.000
84
344
C
60
H
24
0.000
8000.000
84
345
C
60
H
24
0.000
8000.000
84
346
C
60
H
24
0.000
8000.000
84
347
C
60
H
24
0.000
8000.000
84
348
C
60
H
24
0.000
8000.000
84
349
C
60
H
24
0.000
8000.000
84
350
C
60
H
24
0.000
8000.000
84
«
1
2
3
4
5
...
10
11
12
13
14
15
16
17
»