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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 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Energy
✕
Username
✕
Maximum force
✕
51
C
60
H
36
-662.690
hecc
0.007
52
C
60
H
36
-659.249
hecc
0.009
53
C
60
H
36
-663.271
hecc
0.009
54
C
60
H
36
-663.080
hecc
0.009
55
C
60
H
36
-660.888
hecc
0.009
56
C
60
H
36
-660.762
hecc
0.009
57
C
60
H
36
-657.896
hecc
0.009
58
C
60
H
36
-662.578
hecc
0.008
59
C
60
H
36
-662.584
hecc
0.007
60
C
60
H
36
-661.498
hecc
0.008
61
C
60
H
36
-657.424
hecc
0.010
62
C
60
H
36
-662.093
hecc
0.009
63
C
60
H
36
-661.889
hecc
0.010
64
C
60
H
36
-660.693
hecc
0.010
65
C
60
H
36
-661.911
hecc
0.010
66
C
60
H
36
-661.746
hecc
0.008
67
C
60
H
36
-661.526
hecc
0.009
68
C
60
H
36
-661.343
hecc
0.046
69
C
60
H
36
-662.028
hecc
0.009
70
C
60
H
36
-662.948
hecc
0.008
71
C
60
H
36
-664.986
hecc
0.008
72
C
60
H
36
-663.261
hecc
0.009
73
C
60
H
36
-658.101
hecc
0.009
74
C
60
H
36
-663.709
hecc
0.008
75
C
60
H
36
-663.426
hecc
0.010
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