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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
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
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ID
✕
Formula
✕
Maximum force
✕
Calculator
✕
126
C
60
H
36
0.008
unknown
127
C
60
H
36
0.010
unknown
128
C
60
H
36
0.009
unknown
129
C
60
H
36
0.009
unknown
130
C
60
H
36
0.010
unknown
131
C
60
H
36
0.009
unknown
132
C
60
H
36
0.010
unknown
133
C
60
H
36
0.009
unknown
134
C
60
H
36
0.009
unknown
135
C
60
H
36
0.009
unknown
136
C
60
H
36
0.009
unknown
137
C
60
H
36
0.009
unknown
138
C
60
H
36
0.008
unknown
139
C
60
H
36
0.010
unknown
140
C
60
H
36
0.010
unknown
141
C
60
H
36
0.010
unknown
142
C
60
H
36
0.009
unknown
143
C
60
H
36
0.039
unknown
144
C
60
H
36
0.008
unknown
145
C
60
H
36
0.009
unknown
146
C
60
H
36
0.008
unknown
147
C
60
H
36
0.009
unknown
148
C
60
H
36
0.007
unknown
149
C
60
H
36
0.008
unknown
150
C
60
H
36
0.007
unknown
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