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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 1-25 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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
Calculator
✕
Volume
✕
1
C
60
H
36
57M
unknown
8000.000
2
C
60
H
36
57M
unknown
8000.000
3
C
60
H
36
57M
unknown
8000.000
4
C
60
H
36
57M
unknown
8000.000
5
C
60
H
36
57M
unknown
8000.000
6
C
60
H
36
57M
unknown
8000.000
7
C
60
H
36
57M
unknown
8000.000
8
C
60
H
36
57M
unknown
8000.000
9
C
60
H
36
57M
unknown
8000.000
10
C
60
H
36
57M
unknown
8000.000
11
C
60
H
36
57M
unknown
8000.000
12
C
60
H
36
57M
unknown
8000.000
13
C
60
H
36
57M
unknown
8000.000
14
C
60
H
36
57M
unknown
8000.000
15
C
60
H
36
57M
unknown
8000.000
16
C
60
H
36
57M
unknown
8000.000
17
C
60
H
36
57M
unknown
8000.000
18
C
60
H
36
57M
unknown
8000.000
19
C
60
H
36
57M
unknown
8000.000
20
C
60
H
36
57M
unknown
8000.000
21
C
60
H
36
57M
unknown
8000.000
22
C
60
H
36
57M
unknown
8000.000
23
C
60
H
36
57M
unknown
8000.000
24
C
60
H
36
57M
unknown
8000.000
25
C
60
H
36
57M
unknown
8000.000
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