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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 1101-517 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
✕
1101
Au
8
Si
4
1423.247
1102
Au
8
Si
4
1444.104
1103
Au
8
Si
4
1443.981
1104
Au
8
Si
4
1427.295
1105
Au
8
Si
4
1426.934
1106
Au
8
Si
4
1426.406
1107
Au
8
Si
4
1443.625
1108
Au
8
Si
4
1426.618
1109
Au
8
Si
4
1424.952
1110
Au
8
Si
4
1427.402
1111
Au
8
Si
4
1422.569
1112
Au
8
Si
4
1424.158
1113
Au
8
Si
4
1443.669
1114
Au
8
Si
4
1443.509
1115
Au
8
Si
4
1443.515
1116
Au
8
Si
4
1427.143
1117
Au
8
Si
4
1427.033
1118
Au
8
Si
4
1427.450
1119
Au
8
Si
4
1427.400
1120
Au
8
Si
4
1443.773
1121
Au
8
Si
4
1426.945
1122
Au
8
Si
4
1426.663
1123
Au
8
Si
4
1443.407
1124
Au
8
Si
4
1443.846
1125
Au
8
Si
4
1443.617
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