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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 1226-31 out of 31
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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
✕
1226
Au
8
Si
4
1442.947
1227
Au
8
Si
4
1420.121
1228
Au
8
Si
4
1443.156
1229
Au
8
Si
4
1427.439
1230
Au
8
Si
4
1427.417
1231
Au
8
Si
4
1444.044
1232
Au
8
Si
4
1425.728
1233
Au
8
Si
4
1426.983
1234
Au
8
Si
4
1444.245
1235
Au
8
Si
4
1443.508
1236
Au
8
Si
4
1443.924
1237
Au
8
Si
4
1420.549
1238
Au
8
Si
4
1422.313
1239
Au
8
Si
4
1445.247
1240
Au
8
Si
4
1443.331
1241
Au
8
Si
4
1444.808
1242
Au
8
Si
4
1426.573
1243
Au
8
Si
4
1427.356
1244
Au
8
Si
4
1444.030
1245
Au
8
Si
4
1427.465
1246
Au
8
Si
4
1459.689
1247
Au
8
Si
4
1455.157
1248
Au
8
Si
4
1441.888
1249
Au
8
Si
4
1443.597
1250
Au
8
Si
4
1443.550
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