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SAGAR
Database
MATLAB-code
ASE database
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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 26-50 out of 517
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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_number
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
Calculator
✕
26
C
60
H
36
57M
unknown
27
C
60
H
36
57M
unknown
28
C
60
H
36
57M
unknown
29
C
60
H
36
57M
unknown
30
C
60
H
36
57M
unknown
31
C
60
H
36
57M
unknown
32
C
60
H
36
57M
unknown
33
C
60
H
36
57M
unknown
34
C
60
H
36
57M
unknown
35
C
60
H
36
57M
unknown
36
C
60
H
36
57M
unknown
37
C
60
H
36
57M
unknown
38
C
60
H
36
57M
unknown
39
C
60
H
36
57M
unknown
40
C
60
H
36
57M
unknown
41
C
60
H
36
57M
unknown
42
C
60
H
36
57M
unknown
43
C
60
H
36
57M
unknown
44
C
60
H
36
57M
unknown
45
C
60
H
36
57M
unknown
46
C
60
H
36
57M
unknown
47
C
60
H
36
57M
unknown
48
C
60
H
36
57M
unknown
49
C
60
H
36
57M
unknown
50
C
60
H
36
57M
unknown
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