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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 1401-17 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
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200
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ID
✕
Formula
✕
Mass
✕
1401
Au
8
Si
4
1688.073
1402
Au
8
Si
4
1688.073
1403
Au
8
Si
4
1688.073
1404
Au
8
Si
4
1688.073
1405
Au
8
Si
4
1688.073
1406
Au
8
Si
4
1688.073
1407
Au
8
Si
4
1688.073
1408
Au
8
Si
4
1688.073
1409
Au
8
Si
4
1688.073
1410
Au
8
Si
4
1688.073
1411
Au
8
Si
4
1688.073
1412
Au
8
Si
4
1688.073
1413
Au
8
Si
4
1688.073
1414
Au
8
Si
4
1688.073
1415
Au
8
Si
4
1688.073
1416
Au
8
Si
4
1688.073
1417
Au
8
Si
4
1688.073
1418
Au
8
Si
4
1688.073
1419
Au
8
Si
4
1688.073
1420
Au
8
Si
4
1688.073
1421
Au
8
Si
4
1688.073
1422
Au
8
Si
4
1688.073
1423
Au
8
Si
4
1688.073
1424
Au
8
Si
4
1688.073
1425
Au
8
Si
4
1688.073
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