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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 51-75 out of 517
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Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_number
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Maximum force
✕
Username
✕
Maximum stress
✕
Calculator
✕
51
C
60
H
36
0.007
hecc
0.000
unknown
52
C
60
H
36
0.009
hecc
0.000
unknown
53
C
60
H
36
0.009
hecc
0.000
unknown
54
C
60
H
36
0.009
hecc
0.000
unknown
55
C
60
H
36
0.009
hecc
0.000
unknown
56
C
60
H
36
0.009
hecc
0.000
unknown
57
C
60
H
36
0.009
hecc
0.000
unknown
58
C
60
H
36
0.008
hecc
0.000
unknown
59
C
60
H
36
0.007
hecc
0.000
unknown
60
C
60
H
36
0.008
hecc
0.000
unknown
61
C
60
H
36
0.010
hecc
0.000
unknown
62
C
60
H
36
0.009
hecc
0.000
unknown
63
C
60
H
36
0.010
hecc
0.000
unknown
64
C
60
H
36
0.010
hecc
0.000
unknown
65
C
60
H
36
0.010
hecc
0.000
unknown
66
C
60
H
36
0.008
hecc
0.000
unknown
67
C
60
H
36
0.009
hecc
0.000
unknown
68
C
60
H
36
0.046
hecc
0.000
unknown
69
C
60
H
36
0.009
hecc
0.000
unknown
70
C
60
H
36
0.008
hecc
0.000
unknown
71
C
60
H
36
0.008
hecc
0.000
unknown
72
C
60
H
36
0.009
hecc
0.000
unknown
73
C
60
H
36
0.009
hecc
0.000
unknown
74
C
60
H
36
0.008
hecc
0.000
unknown
75
C
60
H
36
0.010
hecc
0.000
unknown
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