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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 1176-517 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
✕
1176
Au
8
Si
4
-43.784
1177
Au
8
Si
4
-43.781
1178
Au
8
Si
4
-43.797
1179
Au
8
Si
4
-44.353
1180
Au
8
Si
4
-43.790
1181
Au
8
Si
4
-43.776
1182
Au
8
Si
4
-44.344
1183
Au
8
Si
4
-44.341
1184
Au
8
Si
4
-43.800
1185
Au
8
Si
4
-43.774
1186
Au
8
Si
4
-43.781
1187
Au
8
Si
4
-44.344
1188
Au
8
Si
4
-44.356
1189
Au
8
Si
4
-43.780
1190
Au
8
Si
4
-43.792
1191
Au
8
Si
4
-44.355
1192
Au
8
Si
4
-44.342
1193
Au
8
Si
4
-43.786
1194
Au
8
Si
4
-44.339
1195
Au
8
Si
4
-44.347
1196
Au
8
Si
4
-44.351
1197
Au
8
Si
4
-44.339
1198
Au
8
Si
4
-44.332
1199
Au
8
Si
4
-44.361
1200
Au
8
Si
4
-44.342
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