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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 1326-594 out of 594
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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
✕
1326
Au
8
Si
4
-44.338
1327
Au
8
Si
4
-44.329
1328
Au
8
Si
4
-44.337
1329
Au
8
Si
4
-43.798
1330
Au
8
Si
4
-43.774
1331
Au
8
Si
4
-43.776
1332
Au
8
Si
4
-44.343
1333
Au
8
Si
4
-44.346
1334
Au
8
Si
4
-44.344
1335
Au
8
Si
4
-44.340
1336
Au
8
Si
4
-44.330
1337
Au
8
Si
4
-44.352
1338
Au
8
Si
4
-44.350
1339
Au
8
Si
4
-44.341
1340
Au
8
Si
4
-43.798
1341
Au
8
Si
4
-44.349
1342
Au
8
Si
4
-44.330
1343
Au
8
Si
4
-44.357
1344
Au
8
Si
4
-43.791
1345
Au
8
Si
4
-44.338
1346
Au
8
Si
4
-43.783
1347
Au
8
Si
4
-43.778
1348
Au
8
Si
4
-44.347
1349
Au
8
Si
4
-44.353
1350
Au
8
Si
4
-43.790
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