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 1-25 out of 594
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
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
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↑
ID
✕
Formula
✕
Maximum stress
✕
Maximum force
✕
Calculator
✕
Username
✕
414
C
60
H
18
0.000
0.011
vasp
mse-gucc
413
C
60
H
18
0.000
0.009
vasp
mse-gucc
412
C
60
H
18
0.000
0.016
vasp
mse-gucc
411
C
60
H
18
0.000
0.018
vasp
mse-gucc
410
C
60
H
18
0.000
0.009
vasp
mse-gucc
409
C
60
H
18
0.000
0.010
vasp
mse-gucc
408
C
60
H
18
0.000
0.012
vasp
mse-gucc
407
C
60
H
18
0.000
0.014
vasp
mse-gucc
406
C
60
H
18
0.000
0.017
vasp
mse-gucc
405
C
60
H
18
0.000
0.010
vasp
mse-gucc
404
C
60
H
18
0.000
0.009
vasp
mse-gucc
403
C
60
H
18
0.000
0.009
vasp
mse-gucc
402
C
60
H
18
0.000
0.009
vasp
mse-gucc
401
C
60
H
18
0.000
0.011
vasp
mse-gucc
400
C
60
H
18
0.000
0.018
vasp
mse-gucc
399
C
60
H
18
0.000
0.008
vasp
mse-gucc
398
C
60
H
18
0.000
0.011
vasp
mse-gucc
397
C
60
H
18
0.000
0.008
vasp
mse-gucc
396
C
60
H
18
0.000
0.020
vasp
mse-gucc
395
C
60
H
18
0.000
0.010
vasp
mse-gucc
394
C
60
H
18
0.000
0.010
vasp
mse-gucc
393
C
60
H
18
0.000
0.014
vasp
mse-gucc
392
C
60
H
18
0.000
0.007
vasp
mse-gucc
391
C
60
H
18
0.000
0.017
vasp
mse-gucc
390
C
60
H
18
0.000
0.017
vasp
mse-gucc
«
1
2
3
4
5
...
21
22
23
24
»