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
perms_number
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 251-275 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
perms_number
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
251
C
60
H
36
0.009
252
C
60
H
36
0.009
253
C
60
H
36
0.008
254
C
60
H
36
0.008
255
C
60
H
36
0.016
256
C
60
H
36
0.015
257
C
60
H
36
0.020
258
C
60
H
36
0.034
259
C
60
H
36
0.024
260
C
60
H
36
0.027
261
C
60
H
36
0.008
262
C
60
H
36
0.017
263
C
60
H
36
0.051
264
C
60
H
36
0.197
265
C
60
H
36
0.008
266
C
60
H
36
0.016
267
C
60
H
36
0.027
268
C
60
H
36
0.025
269
C
60
H
36
0.963
270
C
60
H
36
0.028
271
C
60
H
36
0.058
272
C
60
H
36
0.008
273
C
60
H
36
0.016
274
C
60
H
36
0.102
275
C
60
H
36
0.034
«
1
2
3
4
5
...
7
8
9
10
11
12
13
14
15
16
17
»