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 276-300 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)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
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
✕
Maximum force
✕
276
C
60
H
18
0.009
277
C
60
H
18
0.041
278
C
60
H
18
0.008
279
C
60
H
18
0.015
280
C
60
H
18
0.014
281
C
60
H
18
0.013
282
C
60
H
18
0.012
283
C
60
H
18
0.008
284
C
60
H
18
0.012
285
C
60
H
18
0.009
286
C
60
H
18
0.009
287
C
60
H
18
0.009
288
C
60
H
18
0.007
289
C
60
H
18
0.009
290
C
60
H
18
0.011
291
C
60
H
18
0.010
292
C
60
H
18
0.010
293
C
60
H
18
0.010
294
C
60
H
18
0.028
295
C
60
H
18
0.008
296
C
60
H
18
0.010
297
C
60
H
18
0.009
298
C
60
H
18
0.020
299
C
60
H
18
0.021
300
C
60
H
18
0.013
«
1
2
3
4
5
...
8
9
10
11
12
13
14
15
16
17
»