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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 151-175 out of 594
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Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
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)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Formula
✕
Calculator
✕
Username
✕
151
C
60
H
36
unknown
hecc
152
C
60
H
36
unknown
hecc
153
C
60
H
36
unknown
hecc
154
C
60
H
36
unknown
hecc
155
C
60
H
36
unknown
hecc
156
C
60
H
36
unknown
hecc
157
C
60
H
36
unknown
hecc
158
C
60
H
36
unknown
hecc
159
C
60
H
36
unknown
hecc
160
C
60
H
36
unknown
hecc
161
C
60
H
36
unknown
hecc
162
C
60
H
36
unknown
hecc
163
C
60
H
36
unknown
hecc
164
C
60
H
36
unknown
hecc
165
C
60
H
36
unknown
hecc
166
C
60
H
36
unknown
hecc
167
C
60
H
36
unknown
hecc
168
C
60
H
36
unknown
hecc
169
C
60
H
36
unknown
hecc
170
C
60
H
36
unknown
hecc
171
C
60
H
36
unknown
hecc
172
C
60
H
36
unknown
hecc
173
C
60
H
36
unknown
hecc
174
C
60
H
36
unknown
hecc
175
C
60
H
36
unknown
hecc
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