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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 1351-17 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
✕
1351
Au
8
Si
4
1688.073
1352
Au
8
Si
4
1688.073
1353
Au
8
Si
4
1688.073
1354
Au
8
Si
4
1688.073
1355
Au
8
Si
4
1688.073
1356
Au
8
Si
4
1688.073
1357
Au
8
Si
4
1688.073
1358
Au
8
Si
4
1688.073
1359
Au
8
Si
4
1688.073
1360
Au
8
Si
4
1688.073
1361
Au
8
Si
4
1688.073
1362
Au
8
Si
4
1688.073
1363
Au
8
Si
4
1688.073
1364
Au
8
Si
4
1688.073
1365
Au
8
Si
4
1688.073
1366
Au
8
Si
4
1688.073
1367
Au
8
Si
4
1688.073
1368
Au
8
Si
4
1688.073
1369
Au
8
Si
4
1688.073
1370
Au
8
Si
4
1688.073
1371
Au
8
Si
4
1688.073
1372
Au
8
Si
4
1688.073
1373
Au
8
Si
4
1688.073
1374
Au
8
Si
4
1688.073
1375
Au
8
Si
4
1688.073
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