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 201-225 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)
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
✕
Mass
✕
201
C
60
H
18
1.455
738.804
202
C
60
H
18
0.009
738.804
203
C
60
H
18
0.009
738.804
204
C
60
H
18
0.009
738.804
205
C
60
H
18
1.143
738.804
206
C
60
H
18
0.009
738.804
207
C
60
H
18
0.871
738.804
208
C
60
H
18
0.445
738.804
209
C
60
H
18
0.008
738.804
210
C
60
H
18
1.165
738.804
211
C
60
H
18
0.010
738.804
212
C
60
H
18
0.009
738.804
213
C
60
H
18
0.760
738.804
214
C
60
H
18
0.332
738.804
215
C
60
H
18
0.009
738.804
216
C
60
H
18
0.111
738.804
217
C
60
H
18
0.008
738.804
218
C
60
H
18
0.008
738.804
219
C
60
H
18
0.009
738.804
220
C
60
H
18
0.405
738.804
221
C
60
H
18
0.084
738.804
222
C
60
H
18
1.136
738.804
223
C
60
H
18
0.177
738.804
224
C
60
H
18
0.884
738.804
225
C
60
H
18
0.009
738.804
«
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
»