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 351-375 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Periodic boundary conditions (pbc)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
Number of atoms
✕
perms_num
✕
Username
✕
Age
✕
Maximum force
✕
351
C
60
H
18
0.000
78
2
mse-gucc
53M
0.010
352
C
60
H
18
0.000
78
1
mse-gucc
53M
0.012
353
C
60
H
18
0.000
78
1
mse-gucc
53M
0.009
354
C
60
H
18
0.000
78
2
mse-gucc
53M
0.009
355
C
60
H
18
0.000
78
1
mse-gucc
53M
0.016
356
C
60
H
18
0.000
78
2
mse-gucc
53M
0.009
357
C
60
H
18
0.000
78
2
mse-gucc
53M
0.015
358
C
60
H
18
0.000
78
1
mse-gucc
53M
0.013
359
C
60
H
18
0.000
78
2
mse-gucc
53M
0.013
360
C
60
H
18
0.000
78
1
mse-gucc
53M
0.011
361
C
60
H
18
0.000
78
2
mse-gucc
53M
0.009
362
C
60
H
18
0.000
78
1
mse-gucc
53M
0.010
363
C
60
H
18
0.000
78
2
mse-gucc
53M
0.009
364
C
60
H
18
0.000
78
1
mse-gucc
53M
0.010
365
C
60
H
18
0.000
78
2
mse-gucc
53M
0.008
366
C
60
H
18
0.000
78
2
mse-gucc
53M
0.009
367
C
60
H
18
0.000
78
2
mse-gucc
53M
0.016
368
C
60
H
18
0.000
78
1
mse-gucc
53M
0.020
369
C
60
H
18
0.000
78
2
mse-gucc
53M
0.012
370
C
60
H
18
0.000
78
2
mse-gucc
53M
0.014
371
C
60
H
18
0.000
78
1
mse-gucc
53M
0.009
372
C
60
H
18
0.000
78
2
mse-gucc
53M
0.013
373
C
60
H
18
0.000
78
2
mse-gucc
53M
0.014
374
C
60
H
18
0.000
78
1
mse-gucc
53M
0.017
375
C
60
H
18
0.000
78
2
mse-gucc
53M
0.010
«
1
2
3
4
5
...
11
12
13
14
15
16
17
»