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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 1576-414 out of 414
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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)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
1576
Au
8
Si
4
1443.205
1577
Au
8
Si
4
1425.872
1578
Au
8
Si
4
1441.447
1579
Au
8
Si
4
1425.038
1580
Au
8
Si
4
1443.725
1581
Au
8
Si
4
1427.121
1582
Au
8
Si
4
1443.551
1583
Au
8
Si
4
1427.555
1584
Au
8
Si
4
1420.435
1585
Au
8
Si
4
1443.659
1586
Au
8
Si
4
1443.474
1587
Au
8
Si
4
1443.510
1588
Au
8
Si
4
1423.977
1589
Au
8
Si
4
1426.742
1590
Au
8
Si
4
1443.398
1591
Au
8
Si
4
1449.422
1592
Au
8
Si
4
1426.856
1593
Au
8
Si
4
1443.591
1594
Au
8
Si
4
1446.555
1595
Au
8
Si
4
1420.879
1596
Au
8
Si
4
1443.720
1597
Au
8
Si
4
1426.711
1598
Au
8
Si
4
1443.841
1599
Au
8
Si
4
1426.737
1600
Au
8
Si
4
1443.539
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