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)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
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
✕
Mass
✕
326
C
60
H
24
744.852
327
C
60
H
24
744.852
328
C
60
H
24
744.852
329
C
60
H
24
744.852
330
C
60
H
24
744.852
331
C
60
H
24
744.852
332
C
60
H
24
744.852
333
C
60
H
24
744.852
334
C
60
H
24
744.852
335
C
60
H
24
744.852
336
C
60
H
24
744.852
337
C
60
H
24
744.852
338
C
60
H
24
744.852
339
C
60
H
24
744.852
340
C
60
H
24
744.852
341
C
60
H
24
744.852
342
C
60
H
24
744.852
343
C
60
H
24
744.852
344
C
60
H
24
744.852
345
C
60
H
24
744.852
346
C
60
H
24
744.852
347
C
60
H
24
744.852
348
C
60
H
24
744.852
349
C
60
H
24
744.852
350
C
60
H
24
744.852
«
1
2
3
4
5
...
10
11
12
13
14
15
16
17
»