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Au_rate
E
Si_rate
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
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 301-325 out of 517
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
↓
ID
✕
Formula
✕
Charge
✕
301
Au
8
Si
4
0.000
302
Au
8
Si
4
0.000
303
Au
8
Si
4
0.000
304
Au
8
Si
4
0.000
305
Au
8
Si
4
0.000
306
Au
8
Si
4
0.000
307
Au
8
Si
4
0.000
308
Au
8
Si
4
0.000
309
Au
8
Si
4
0.000
310
Au
8
Si
4
0.000
311
Au
8
Si
4
0.000
312
Au
8
Si
4
0.000
313
Au
8
Si
4
0.000
314
Au
8
Si
4
0.000
315
Au
16
Si
8
0.000
316
Au
16
Si
8
0.000
317
Au
16
Si
8
0.000
318
Au
16
Si
8
0.000
319
Au
16
Si
8
0.000
320
Au
16
Si
8
0.000
321
Au
16
Si
8
0.000
322
Au
16
Si
8
0.000
323
Au
16
Si
8
0.000
324
Au
16
Si
8
0.000
325
Au
16
Si
8
0.000
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