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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 1301-517 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)
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
✕
1301
Au
8
Si
4
1426.349
1302
Au
8
Si
4
1428.110
1303
Au
8
Si
4
1444.058
1304
Au
8
Si
4
1421.902
1305
Au
8
Si
4
1426.859
1306
Au
8
Si
4
1427.352
1307
Au
8
Si
4
1443.943
1308
Au
8
Si
4
1425.715
1309
Au
8
Si
4
1445.551
1310
Au
8
Si
4
1426.322
1311
Au
8
Si
4
1444.430
1312
Au
8
Si
4
1443.703
1313
Au
8
Si
4
1425.571
1314
Au
8
Si
4
1448.755
1315
Au
8
Si
4
1425.379
1316
Au
8
Si
4
1422.290
1317
Au
8
Si
4
1444.078
1318
Au
8
Si
4
1424.316
1319
Au
8
Si
4
1443.741
1320
Au
8
Si
4
1426.060
1321
Au
8
Si
4
1424.867
1322
Au
8
Si
4
1427.100
1323
Au
8
Si
4
1427.327
1324
Au
8
Si
4
1422.394
1325
Au
8
Si
4
1427.327
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