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 26-31 out of 31
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)
Number of atoms (natoms)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
PBC
✕
26
C
60
H
24
4647.561
TTT
27
C
60
H
24
3336.302
TTT
28
C
60
H
24
8000.000
TTT
29
C
60
H
24
8000.000
TTT
30
C
60
H
24
662.867
TTT
31
C
60
H
24
4965.938
TTT
32
C
60
H
24
5231.929
TTT
33
C
60
H
24
8000.000
TTT
34
C
60
H
24
4371.168
TTT
35
C
60
H
24
4247.095
TTT
36
C
60
H
24
1655.683
TTT
37
C
60
H
24
6986.559
TTT
38
C
60
H
24
7770.714
TTT
39
C
60
H
24
4210.023
TTT
40
C
60
H
24
8000.000
TTT
41
C
60
H
24
4162.465
TTT
42
C
60
H
24
3745.303
TTT
43
C
60
H
24
3592.390
TTT
44
C
60
H
24
4118.665
TTT
45
C
60
H
24
3946.720
TTT
46
C
60
H
24
4850.009
TTT
47
C
60
H
24
6482.213
TTT
48
C
60
H
24
3975.722
TTT
49
C
60
H
24
4696.382
TTT
50
C
60
H
24
372.574
TTT
«
1
2
»