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 351-375 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)
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
✕
Number of atoms
✕
Mass
✕
351
C
60
H
24
84
744.852
352
C
60
H
24
84
744.852
353
C
60
H
24
84
744.852
354
C
60
H
24
84
744.852
355
C
60
H
24
84
744.852
356
C
60
H
24
84
744.852
357
C
60
H
24
84
744.852
358
C
60
H
24
84
744.852
359
C
60
H
24
84
744.852
360
C
60
H
24
84
744.852
361
C
60
H
24
84
744.852
362
C
60
H
24
84
744.852
363
C
60
H
24
84
744.852
364
C
60
H
24
84
744.852
365
C
60
H
24
84
744.852
366
C
60
H
24
84
744.852
367
C
60
H
24
84
744.852
368
C
60
H
24
84
744.852
369
C
60
H
24
84
744.852
370
C
60
H
24
84
744.852
371
C
60
H
24
84
744.852
372
C
60
H
24
84
744.852
373
C
60
H
24
84
744.852
374
C
60
H
24
84
744.852
375
C
60
H
24
84
744.852
«
1
2
3
4
5
...
11
12
13
14
15
16
17
»