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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 517
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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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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ID
✕
Formula
✕
Calculator
✕
151
C
60
H
36
unknown
152
C
60
H
36
unknown
153
C
60
H
36
unknown
154
C
60
H
36
unknown
155
C
60
H
36
unknown
156
C
60
H
36
unknown
157
C
60
H
36
unknown
158
C
60
H
36
unknown
159
C
60
H
36
unknown
160
C
60
H
36
unknown
161
C
60
H
36
unknown
162
C
60
H
36
unknown
163
C
60
H
36
unknown
164
C
60
H
36
unknown
165
C
60
H
36
unknown
166
C
60
H
36
unknown
167
C
60
H
36
unknown
168
C
60
H
36
unknown
169
C
60
H
36
unknown
170
C
60
H
36
unknown
171
C
60
H
36
unknown
172
C
60
H
36
unknown
173
C
60
H
36
unknown
174
C
60
H
36
unknown
175
C
60
H
36
unknown
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