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 351-127 out of 127
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)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Charge
✕
Maximum stress
✕
351
C
60
H
24
0.000
0.000
352
C
60
H
24
0.000
0.000
353
C
60
H
24
0.000
0.000
354
C
60
H
24
0.000
0.000
355
C
60
H
24
0.000
0.000
356
C
60
H
24
0.000
0.000
357
C
60
H
24
0.000
0.000
358
C
60
H
24
0.000
0.000
359
C
60
H
24
0.000
0.000
360
C
60
H
24
0.000
0.000
361
C
60
H
24
0.000
0.000
362
C
60
H
24
0.000
0.000
363
C
60
H
24
0.000
0.000
364
C
60
H
24
0.000
0.000
365
C
60
H
24
0.000
0.000
366
C
60
H
24
0.000
0.000
367
C
60
H
24
0.000
0.000
368
C
60
H
24
0.000
0.000
369
C
60
H
24
0.000
0.000
370
C
60
H
24
0.000
0.000
371
C
60
H
24
0.000
0.000
372
C
60
H
24
0.000
0.000
373
C
60
H
24
0.000
0.000
374
C
60
H
24
0.000
0.000
375
C
60
H
24
0.000
0.000
«
1
2
3
4
5
...
»