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)
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
✕
Calculator
✕
351
C
60
H
18
738.804
vasp
352
C
60
H
18
738.804
vasp
353
C
60
H
18
738.804
vasp
354
C
60
H
18
738.804
vasp
355
C
60
H
18
738.804
vasp
356
C
60
H
18
738.804
vasp
357
C
60
H
18
738.804
vasp
358
C
60
H
18
738.804
vasp
359
C
60
H
18
738.804
vasp
360
C
60
H
18
738.804
vasp
361
C
60
H
18
738.804
vasp
362
C
60
H
18
738.804
vasp
363
C
60
H
18
738.804
vasp
364
C
60
H
18
738.804
vasp
365
C
60
H
18
738.804
vasp
366
C
60
H
18
738.804
vasp
367
C
60
H
18
738.804
vasp
368
C
60
H
18
738.804
vasp
369
C
60
H
18
738.804
vasp
370
C
60
H
18
738.804
vasp
371
C
60
H
18
738.804
vasp
372
C
60
H
18
738.804
vasp
373
C
60
H
18
738.804
vasp
374
C
60
H
18
738.804
vasp
375
C
60
H
18
738.804
vasp
«
1
2
3
4
5
...
11
12
13
14
15
16
17
»