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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 1401-517 out of 517
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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)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
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ID
✕
Formula
✕
Number of atoms
✕
Username
✕
1401
Au
8
Si
4
12
yangxb
1402
Au
8
Si
4
12
yangxb
1403
Au
8
Si
4
12
yangxb
1404
Au
8
Si
4
12
yangxb
1405
Au
8
Si
4
12
yangxb
1406
Au
8
Si
4
12
yangxb
1407
Au
8
Si
4
12
yangxb
1408
Au
8
Si
4
12
yangxb
1409
Au
8
Si
4
12
yangxb
1410
Au
8
Si
4
12
yangxb
1411
Au
8
Si
4
12
yangxb
1412
Au
8
Si
4
12
yangxb
1413
Au
8
Si
4
12
yangxb
1414
Au
8
Si
4
12
yangxb
1415
Au
8
Si
4
12
yangxb
1416
Au
8
Si
4
12
yangxb
1417
Au
8
Si
4
12
yangxb
1418
Au
8
Si
4
12
yangxb
1419
Au
8
Si
4
12
yangxb
1420
Au
8
Si
4
12
yangxb
1421
Au
8
Si
4
12
yangxb
1422
Au
8
Si
4
12
yangxb
1423
Au
8
Si
4
12
yangxb
1424
Au
8
Si
4
12
yangxb
1425
Au
8
Si
4
12
yangxb
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