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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 751-414 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
✕
751
Au
8
Si
4
1442.859
752
Au
8
Si
4
1442.244
753
Au
8
Si
4
1443.117
754
Au
8
Si
4
1442.657
755
Au
8
Si
4
1442.883
756
Au
8
Si
4
1438.012
757
Au
8
Si
4
1437.840
758
Au
8
Si
4
1437.787
759
Au
8
Si
4
1437.769
760
Au
8
Si
4
1438.379
761
Au
8
Si
4
1437.808
762
Au
8
Si
4
1437.765
763
Au
8
Si
4
1437.692
764
Au
8
Si
4
1438.265
765
Au
8
Si
4
1438.174
766
Au
8
Si
4
1437.987
767
Au
8
Si
4
1438.916
768
Au
8
Si
4
1438.267
769
Au
8
Si
4
1438.216
770
Au
8
Si
4
1438.019
771
Au
8
Si
4
1437.760
772
Au
8
Si
4
1438.068
773
Au
8
Si
4
1438.370
774
Au
8
Si
4
1438.233
775
Au
8
Si
4
1437.973
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