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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 126-31 out of 31
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Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
Magnetic moment (magmom)
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
✕
Calculator
✕
Number of atoms
✕
Mass
✕
Maximum force
✕
126
C
60
H
36
unknown
96
756.948
0.008
127
C
60
H
36
unknown
96
756.948
0.010
128
C
60
H
36
unknown
96
756.948
0.009
129
C
60
H
36
unknown
96
756.948
0.009
130
C
60
H
36
unknown
96
756.948
0.010
131
C
60
H
36
unknown
96
756.948
0.009
132
C
60
H
36
unknown
96
756.948
0.010
133
C
60
H
36
unknown
96
756.948
0.009
134
C
60
H
36
unknown
96
756.948
0.009
135
C
60
H
36
unknown
96
756.948
0.009
136
C
60
H
36
unknown
96
756.948
0.009
137
C
60
H
36
unknown
96
756.948
0.009
138
C
60
H
36
unknown
96
756.948
0.008
139
C
60
H
36
unknown
96
756.948
0.010
140
C
60
H
36
unknown
96
756.948
0.010
141
C
60
H
36
unknown
96
756.948
0.010
142
C
60
H
36
unknown
96
756.948
0.009
143
C
60
H
36
unknown
96
756.948
0.039
144
C
60
H
36
unknown
96
756.948
0.008
145
C
60
H
36
unknown
96
756.948
0.009
146
C
60
H
36
unknown
96
756.948
0.008
147
C
60
H
36
unknown
96
756.948
0.009
148
C
60
H
36
unknown
96
756.948
0.007
149
C
60
H
36
unknown
96
756.948
0.008
150
C
60
H
36
unknown
96
756.948
0.007
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