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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 1601-1625 out of 2180
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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)
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
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ID
✕
Formula
✕
1601
Au
8
Si
4
1602
Au
8
Si
4
1603
Au
8
Si
4
1604
Au
8
Si
4
1605
Au
8
Si
4
1606
Au
8
Si
4
1607
Au
8
Si
4
1608
Au
8
Si
4
1609
Au
8
Si
4
1610
Au
8
Si
4
1611
Au
8
Si
4
1612
Au
8
Si
4
1613
Au
8
Si
4
1614
Au
8
Si
4
1615
Au
8
Si
4
1616
Au
8
Si
4
1617
Au
8
Si
4
1618
Au
8
Si
4
1619
Au
8
Si
4
1620
Au
8
Si
4
1621
Au
8
Si
4
1622
Au
8
Si
4
1623
Au
8
Si
4
1624
Au
16
Si
8
1625
Au
16
Si
8
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