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 226-250 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)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Mass
✕
226
C
60
H
18
8000.000
738.804
227
C
60
H
18
4253.367
738.804
228
C
60
H
18
8000.000
738.804
229
C
60
H
18
8000.000
738.804
230
C
60
H
18
8000.000
738.804
231
C
60
H
18
6449.648
738.804
232
C
60
H
18
8000.000
738.804
233
C
60
H
18
8000.000
738.804
234
C
60
H
18
6488.371
738.804
235
C
60
H
18
4195.363
738.804
236
C
60
H
18
5520.674
738.804
237
C
60
H
18
4997.413
738.804
238
C
60
H
18
4607.285
738.804
239
C
60
H
18
4244.551
738.804
240
C
60
H
18
4914.239
738.804
241
C
60
H
18
7787.359
738.804
242
C
60
H
18
5547.816
738.804
243
C
60
H
18
4433.007
738.804
244
C
60
H
18
4086.653
738.804
245
C
60
H
18
3610.894
738.804
246
C
60
H
18
4211.537
738.804
247
C
60
H
18
8000.000
738.804
248
C
60
H
18
4966.322
738.804
249
C
60
H
18
8000.000
738.804
250
C
60
H
18
4280.374
738.804
«
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
»