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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 176-200 out of 517
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
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
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200
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ID
✕
Formula
✕
Mass
✕
176
C
60
H
36
756.948
177
C
60
H
36
756.948
178
C
60
H
36
756.948
179
C
60
H
36
756.948
180
C
60
H
36
756.948
181
C
60
H
36
756.948
182
C
60
H
36
756.948
183
C
60
H
36
756.948
184
C
60
H
36
756.948
185
C
60
H
36
756.948
186
C
60
H
36
756.948
187
C
60
H
36
756.948
188
C
60
H
36
756.948
189
C
60
H
36
756.948
190
C
60
H
36
756.948
191
C
60
H
36
756.948
192
C
60
H
36
756.948
193
C
60
H
36
756.948
194
C
60
H
36
756.948
195
C
60
H
36
756.948
196
C
60
H
36
756.948
197
C
60
H
36
756.948
198
C
60
H
36
756.948
199
C
60
H
36
756.948
200
C
60
H
36
756.948
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