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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 1226-1250 out of 2180
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Au_rate
E
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)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Si_rate
✕
1226
Au
8
Si
4
0.333
1227
Au
8
Si
4
0.333
1228
Au
8
Si
4
0.333
1229
Au
8
Si
4
0.333
1230
Au
8
Si
4
0.333
1231
Au
8
Si
4
0.333
1232
Au
8
Si
4
0.333
1233
Au
8
Si
4
0.333
1234
Au
8
Si
4
0.333
1235
Au
8
Si
4
0.333
1236
Au
8
Si
4
0.333
1237
Au
8
Si
4
0.333
1238
Au
8
Si
4
0.333
1239
Au
8
Si
4
0.333
1240
Au
8
Si
4
0.333
1241
Au
8
Si
4
0.333
1242
Au
8
Si
4
0.333
1243
Au
8
Si
4
0.333
1244
Au
8
Si
4
0.333
1245
Au
8
Si
4
0.333
1246
Au
8
Si
4
0.333
1247
Au
8
Si
4
0.333
1248
Au
8
Si
4
0.333
1249
Au
8
Si
4
0.333
1250
Au
8
Si
4
0.333
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