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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 201-225 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
50
100
200
↓
ID
✕
Formula
✕
Calculator
✕
201
C
60
H
36
unknown
202
C
60
H
36
unknown
203
C
60
H
36
unknown
204
C
60
H
36
unknown
205
C
60
H
36
unknown
206
C
60
H
36
unknown
207
C
60
H
36
unknown
208
C
60
H
36
unknown
209
C
60
H
36
unknown
210
C
60
H
36
unknown
211
C
60
H
36
unknown
212
C
60
H
36
unknown
213
C
60
H
36
unknown
214
C
60
H
36
unknown
215
C
60
H
36
unknown
216
C
60
H
36
unknown
217
C
60
H
36
unknown
218
C
60
H
36
unknown
219
C
60
H
36
unknown
220
C
60
H
36
unknown
221
C
60
H
36
unknown
222
C
60
H
36
unknown
223
C
60
H
36
unknown
224
C
60
H
36
unknown
225
C
60
H
36
unknown
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