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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 151-175 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)
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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200
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ID
✕
Formula
✕
Energy
✕
151
Au
8
Si
4
-44.348
152
Au
8
Si
4
-43.751
153
Au
8
Si
4
-43.988
154
Au
8
Si
4
-44.341
155
Au
8
Si
4
-44.349
156
Au
8
Si
4
-43.741
157
Au
8
Si
4
-44.348
158
Au
8
Si
4
-43.795
159
Au
8
Si
4
-43.748
160
Au
8
Si
4
-44.348
161
Au
8
Si
4
-44.334
162
Au
8
Si
4
-44.353
163
Au
8
Si
4
-44.353
164
Au
8
Si
4
-43.735
165
Au
8
Si
4
-44.344
166
Au
8
Si
4
-44.347
167
Au
8
Si
4
-44.337
168
Au
8
Si
4
-44.352
169
Au
8
Si
4
-44.345
170
Au
8
Si
4
-44.345
171
Au
8
Si
4
-43.760
172
Au
8
Si
4
-44.346
173
Au
8
Si
4
-44.352
174
Au
8
Si
4
-44.347
175
Au
8
Si
4
-43.751
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