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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 1551-17 out of 17
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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
50
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200
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ID
✕
Formula
✕
Mass
✕
1551
Au
8
Si
4
1688.073
1552
Au
8
Si
4
1688.073
1553
Au
8
Si
4
1688.073
1554
Au
8
Si
4
1688.073
1555
Au
8
Si
4
1688.073
1556
Au
8
Si
4
1688.073
1557
Au
8
Si
4
1688.073
1558
Au
8
Si
4
1688.073
1559
Au
8
Si
4
1688.073
1560
Au
8
Si
4
1688.073
1561
Au
8
Si
4
1688.073
1562
Au
8
Si
4
1688.073
1563
Au
8
Si
4
1688.073
1564
Au
8
Si
4
1688.073
1565
Au
8
Si
4
1688.073
1566
Au
8
Si
4
1688.073
1567
Au
8
Si
4
1688.073
1568
Au
8
Si
4
1688.073
1569
Au
8
Si
4
1688.073
1570
Au
8
Si
4
1688.073
1571
Au
8
Si
4
1688.073
1572
Au
8
Si
4
1688.073
1573
Au
8
Si
4
1688.073
1574
Au
8
Si
4
1688.073
1575
Au
8
Si
4
1688.073
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