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 376-400 out of 414
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)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
Calculator
✕
376
C
60
H
18
mse-gucc
vasp
377
C
60
H
18
mse-gucc
vasp
378
C
60
H
18
mse-gucc
vasp
379
C
60
H
18
mse-gucc
vasp
380
C
60
H
18
mse-gucc
vasp
381
C
60
H
18
mse-gucc
vasp
382
C
60
H
18
mse-gucc
vasp
383
C
60
H
18
mse-gucc
vasp
384
C
60
H
18
mse-gucc
vasp
385
C
60
H
18
mse-gucc
vasp
386
C
60
H
18
mse-gucc
vasp
387
C
60
H
18
mse-gucc
vasp
388
C
60
H
18
mse-gucc
vasp
389
C
60
H
18
mse-gucc
vasp
390
C
60
H
18
mse-gucc
vasp
391
C
60
H
18
mse-gucc
vasp
392
C
60
H
18
mse-gucc
vasp
393
C
60
H
18
mse-gucc
vasp
394
C
60
H
18
mse-gucc
vasp
395
C
60
H
18
mse-gucc
vasp
396
C
60
H
18
mse-gucc
vasp
397
C
60
H
18
mse-gucc
vasp
398
C
60
H
18
mse-gucc
vasp
399
C
60
H
18
mse-gucc
vasp
400
C
60
H
18
mse-gucc
vasp
«
1
2
3
4
5
...
12
13
14
15
16
17
»