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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 126-150 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
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Formula
✕
Maximum force
✕
Calculator
✕
Maximum stress
✕
126
C
60
H
36
0.008
unknown
0.000
127
C
60
H
36
0.010
unknown
0.000
128
C
60
H
36
0.009
unknown
0.000
129
C
60
H
36
0.009
unknown
0.000
130
C
60
H
36
0.010
unknown
0.000
131
C
60
H
36
0.009
unknown
0.000
132
C
60
H
36
0.010
unknown
0.000
133
C
60
H
36
0.009
unknown
0.000
134
C
60
H
36
0.009
unknown
0.000
135
C
60
H
36
0.009
unknown
0.000
136
C
60
H
36
0.009
unknown
0.000
137
C
60
H
36
0.009
unknown
0.000
138
C
60
H
36
0.008
unknown
0.000
139
C
60
H
36
0.010
unknown
0.000
140
C
60
H
36
0.010
unknown
0.000
141
C
60
H
36
0.010
unknown
0.000
142
C
60
H
36
0.009
unknown
0.000
143
C
60
H
36
0.039
unknown
0.000
144
C
60
H
36
0.008
unknown
0.000
145
C
60
H
36
0.009
unknown
0.000
146
C
60
H
36
0.008
unknown
0.000
147
C
60
H
36
0.009
unknown
0.000
148
C
60
H
36
0.007
unknown
0.000
149
C
60
H
36
0.008
unknown
0.000
150
C
60
H
36
0.007
unknown
0.000
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