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 426-450 out of 2180
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)
Sum of atomic masses in unit cell (mass)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Number of atoms
✕
426
C
60
H
36
8000.000
96
427
C
60
H
36
8000.000
96
428
C
60
H
36
8000.000
96
429
C
60
H
36
8000.000
96
430
C
60
H
36
8000.000
96
431
C
60
H
36
8000.000
96
432
C
60
H
36
8000.000
96
433
C
60
H
36
8000.000
96
434
C
60
H
36
8000.000
96
435
C
60
H
36
8000.000
96
436
C
60
H
36
8000.000
96
437
C
60
H
36
8000.000
96
438
C
60
H
36
8000.000
96
439
C
60
H
36
8000.000
96
440
C
60
H
36
8000.000
96
441
C
60
H
36
8000.000
96
442
C
60
H
36
8000.000
96
443
C
60
H
36
8000.000
96
444
C
60
H
36
8000.000
96
445
C
60
H
36
8000.000
96
446
C
60
H
36
8000.000
96
447
C
60
H
36
8000.000
96
448
C
60
H
36
8000.000
96
449
C
60
H
36
8000.000
96
450
C
60
H
36
8000.000
96
«
1
2
3
4
5
...
14
15
16
17
18
19
20
21
22
...
85
86
87
88
»