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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 701-414 out of 414
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
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
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ID
✕
Formula
✕
Mass
✕
701
Au
16
Si
8
3376.145
702
Au
16
Si
8
3376.145
703
Au
16
Si
8
3376.145
704
Au
16
Si
8
3376.145
705
Au
16
Si
8
3376.145
706
Au
16
Si
8
3376.145
707
Au
16
Si
8
3376.145
708
Au
16
Si
8
3376.145
709
Au
16
Si
8
3376.145
710
Au
16
Si
8
3376.145
711
Au
16
Si
8
3376.145
712
Au
16
Si
8
3376.145
713
Au
16
Si
8
3376.145
714
Au
16
Si
8
3376.145
715
Au
16
Si
8
3376.145
716
Au
16
Si
8
3376.145
717
Au
16
Si
8
3376.145
718
Au
16
Si
8
3376.145
719
Au
16
Si
8
3376.145
720
Au
16
Si
8
3376.145
721
Au
16
Si
8
3376.145
722
Au
16
Si
8
3376.145
723
Au
16
Si
8
3376.145
724
Au
16
Si
8
3376.145
725
Au
16
Si
8
3376.145
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