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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 601-31 out of 31
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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
✕
601
Au
8
Si
4
1688.073
602
Au
8
Si
4
1688.073
603
Au
8
Si
4
1688.073
604
Au
8
Si
4
1688.073
605
Au
8
Si
4
1688.073
606
Au
8
Si
4
1688.073
607
Au
8
Si
4
1688.073
608
Au
8
Si
4
1688.073
609
Au
8
Si
4
1688.073
610
Au
8
Si
4
1688.073
611
Au
8
Si
4
1688.073
612
Au
8
Si
4
1688.073
613
Au
8
Si
4
1688.073
614
Au
8
Si
4
1688.073
615
Au
8
Si
4
1688.073
616
Au
8
Si
4
1688.073
617
Au
8
Si
4
1688.073
618
Au
8
Si
4
1688.073
619
Au
8
Si
4
1688.073
620
Au
8
Si
4
1688.073
621
Au
8
Si
4
1688.073
622
Au
8
Si
4
1688.073
623
Au
8
Si
4
1688.073
624
Au
8
Si
4
1688.073
625
Au
8
Si
4
1688.073
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