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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 1151-517 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)
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)
Volume of unit cell (volume)
Rows: 25
10
25
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100
200
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ID
✕
Formula
✕
Energy
✕
1151
Au
8
Si
4
-43.791
1152
Au
8
Si
4
-43.789
1153
Au
8
Si
4
-44.345
1154
Au
8
Si
4
-44.354
1155
Au
8
Si
4
-44.356
1156
Au
8
Si
4
-44.338
1157
Au
8
Si
4
-43.793
1158
Au
8
Si
4
-44.334
1159
Au
8
Si
4
-44.324
1160
Au
8
Si
4
-44.337
1161
Au
8
Si
4
-44.340
1162
Au
8
Si
4
-44.345
1163
Au
8
Si
4
-43.795
1164
Au
8
Si
4
-44.353
1165
Au
8
Si
4
-44.346
1166
Au
8
Si
4
-44.348
1167
Au
8
Si
4
-43.783
1168
Au
8
Si
4
-43.782
1169
Au
8
Si
4
-44.327
1170
Au
8
Si
4
-43.799
1171
Au
8
Si
4
-43.784
1172
Au
8
Si
4
-44.332
1173
Au
8
Si
4
-44.342
1174
Au
8
Si
4
-43.785
1175
Au
8
Si
4
-44.349
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