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ASE database
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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 301-31 out of 31
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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)
Volume of unit cell (volume)
Rows: 25
10
25
50
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ID
✕
Formula
✕
Username
✕
301
Au
8
Si
4
yangxb
302
Au
8
Si
4
yangxb
303
Au
8
Si
4
yangxb
304
Au
8
Si
4
yangxb
305
Au
8
Si
4
yangxb
306
Au
8
Si
4
yangxb
307
Au
8
Si
4
yangxb
308
Au
8
Si
4
yangxb
309
Au
8
Si
4
yangxb
310
Au
8
Si
4
yangxb
311
Au
8
Si
4
yangxb
312
Au
8
Si
4
yangxb
313
Au
8
Si
4
yangxb
314
Au
8
Si
4
yangxb
315
Au
16
Si
8
yangxb
316
Au
16
Si
8
yangxb
317
Au
16
Si
8
yangxb
318
Au
16
Si
8
yangxb
319
Au
16
Si
8
yangxb
320
Au
16
Si
8
yangxb
321
Au
16
Si
8
yangxb
322
Au
16
Si
8
yangxb
323
Au
16
Si
8
yangxb
324
Au
16
Si
8
yangxb
325
Au
16
Si
8
yangxb
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