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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 101-125 out of 414
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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
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
Calculator
✕
101
C
60
H
36
0.009
unknown
102
C
60
H
36
0.217
unknown
103
C
60
H
36
0.010
unknown
104
C
60
H
36
0.009
unknown
105
C
60
H
36
0.010
unknown
106
C
60
H
36
0.010
unknown
107
C
60
H
36
0.009
unknown
108
C
60
H
36
0.009
unknown
109
C
60
H
36
0.009
unknown
110
C
60
H
36
0.009
unknown
111
C
60
H
36
0.010
unknown
112
C
60
H
36
0.010
unknown
113
C
60
H
36
0.010
unknown
114
C
60
H
36
0.007
unknown
115
C
60
H
36
0.010
unknown
116
C
60
H
36
0.009
unknown
117
C
60
H
36
0.008
unknown
118
C
60
H
36
0.009
unknown
119
C
60
H
36
0.009
unknown
120
C
60
H
36
0.009
unknown
121
C
60
H
36
0.010
unknown
122
C
60
H
36
0.008
unknown
123
C
60
H
36
0.009
unknown
124
C
60
H
36
0.007
unknown
125
C
60
H
36
0.009
unknown
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