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
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
PBC
✕
Maximum force
✕
Username
✕
perms_num
✕
351
C
60
H
18
8000.000
TTT
0.010
mse-gucc
2
352
C
60
H
18
8000.000
TTT
0.012
mse-gucc
1
353
C
60
H
18
8000.000
TTT
0.009
mse-gucc
1
354
C
60
H
18
8000.000
TTT
0.009
mse-gucc
2
355
C
60
H
18
8000.000
TTT
0.016
mse-gucc
1
356
C
60
H
18
8000.000
TTT
0.009
mse-gucc
2
357
C
60
H
18
8000.000
TTT
0.015
mse-gucc
2
358
C
60
H
18
8000.000
TTT
0.013
mse-gucc
1
359
C
60
H
18
8000.000
TTT
0.013
mse-gucc
2
360
C
60
H
18
8000.000
TTT
0.011
mse-gucc
1
361
C
60
H
18
8000.000
TTT
0.009
mse-gucc
2
362
C
60
H
18
8000.000
TTT
0.010
mse-gucc
1
363
C
60
H
18
8000.000
TTT
0.009
mse-gucc
2
364
C
60
H
18
8000.000
TTT
0.010
mse-gucc
1
365
C
60
H
18
8000.000
TTT
0.008
mse-gucc
2
366
C
60
H
18
8000.000
TTT
0.009
mse-gucc
2
367
C
60
H
18
8000.000
TTT
0.016
mse-gucc
2
368
C
60
H
18
8000.000
TTT
0.020
mse-gucc
1
369
C
60
H
18
8000.000
TTT
0.012
mse-gucc
2
370
C
60
H
18
8000.000
TTT
0.014
mse-gucc
2
371
C
60
H
18
8000.000
TTT
0.009
mse-gucc
1
372
C
60
H
18
8000.000
TTT
0.013
mse-gucc
2
373
C
60
H
18
8000.000
TTT
0.014
mse-gucc
2
374
C
60
H
18
8000.000
TTT
0.017
mse-gucc
1
375
C
60
H
18
8000.000
TTT
0.010
mse-gucc
2
«
1
2
3
4
5
...
11
12
13
14
15
16
17
»