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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
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 251-275 out of 414
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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)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Formula
✕
Username
✕
251
C
60
H
18
mse-gucc
252
C
60
H
18
mse-gucc
253
C
60
H
18
mse-gucc
254
C
60
H
18
mse-gucc
255
C
60
H
18
mse-gucc
256
C
60
H
18
mse-gucc
257
C
60
H
18
mse-gucc
258
C
60
H
18
mse-gucc
259
C
60
H
18
mse-gucc
260
C
60
H
18
mse-gucc
261
C
60
H
18
mse-gucc
262
C
60
H
18
mse-gucc
263
C
60
H
18
mse-gucc
264
C
60
H
18
mse-gucc
265
C
60
H
18
mse-gucc
266
C
60
H
18
mse-gucc
267
C
60
H
18
mse-gucc
268
C
60
H
18
mse-gucc
269
C
60
H
18
mse-gucc
270
C
60
H
18
mse-gucc
271
C
60
H
18
mse-gucc
272
C
60
H
18
mse-gucc
273
C
60
H
18
mse-gucc
274
C
60
H
18
mse-gucc
275
C
60
H
18
mse-gucc
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