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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 426-450 out of 517
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Au_rate
E
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
↓
ID
✕
Formula
✕
Si_rate
✕
426
Au
16
Si
8
0.333
427
Au
16
Si
8
0.333
428
Au
16
Si
8
0.333
429
Au
16
Si
8
0.333
430
Au
16
Si
8
0.333
431
Au
16
Si
8
0.333
432
Au
16
Si
8
0.333
433
Au
16
Si
8
0.333
434
Au
16
Si
8
0.333
435
Au
16
Si
8
0.333
436
Au
16
Si
8
0.333
437
Au
16
Si
8
0.333
438
Au
16
Si
8
0.333
439
Au
16
Si
8
0.333
440
Au
16
Si
8
0.333
441
Au
16
Si
8
0.333
442
Au
16
Si
8
0.333
443
Au
16
Si
8
0.333
444
Au
16
Si
8
0.333
445
Au
16
Si
8
0.333
446
Au
16
Si
8
0.333
447
Au
16
Si
8
0.333
448
Au
16
Si
8
0.333
449
Au
16
Si
8
0.333
450
Au
16
Si
8
0.333
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