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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 101-125 out of 2180
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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
✕
101
Au
10
Si
6
1897.180
102
Au
10
Si
6
1897.035
103
Au
10
Si
6
1896.457
104
Au
10
Si
6
1897.214
105
Au
10
Si
6
1897.520
106
Au
10
Si
6
1897.204
107
Au
10
Si
6
1896.850
108
Au
10
Si
6
1897.356
109
Au
10
Si
6
1897.531
110
Au
10
Si
6
1897.278
111
Au
10
Si
6
1897.169
112
Au
10
Si
6
1896.927
113
Au
10
Si
6
1897.195
114
Au
10
Si
6
1897.107
115
Au
10
Si
6
1897.001
116
Au
10
Si
6
1897.627
117
Au
10
Si
6
1897.529
118
Au
10
Si
6
1897.284
119
Au
10
Si
6
1897.758
120
Au
10
Si
6
1897.504
121
Au
10
Si
6
1897.264
122
Au
10
Si
6
1897.456
123
Au
10
Si
6
1897.289
124
Au
10
Si
6
1897.282
125
Au
8
Si
4
1442.224
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