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ASE database
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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 2101-594 out of 594
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Au_rate
Si_rate
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
E
✕
Age
✕
Username
✕
Maximum stress
✕
2101
Au
14
Si
8
2685.242
0.290
43M
yangxb
0.001
2102
Au
14
Si
8
2685.390
0.290
43M
yangxb
0.001
2103
Au
14
Si
8
2686.474
0.290
43M
yangxb
0.001
2104
Au
14
Si
8
2685.726
0.290
43M
yangxb
0.001
2105
Au
14
Si
8
2686.072
0.290
43M
yangxb
0.001
2106
Au
14
Si
8
2686.486
0.290
43M
yangxb
0.001
2107
Au
14
Si
8
2685.772
0.290
43M
yangxb
0.001
2108
Au
14
Si
8
2686.597
0.290
43M
yangxb
0.001
2109
Au
14
Si
8
2686.015
0.290
43M
yangxb
0.001
2110
Au
14
Si
8
2685.736
0.290
43M
yangxb
0.001
2111
Au
14
Si
8
2686.044
0.290
43M
yangxb
0.001
2112
Au
14
Si
8
2686.240
0.290
43M
yangxb
0.001
2113
Au
14
Si
8
2685.961
0.290
43M
yangxb
0.001
2114
Au
14
Si
8
2686.403
0.290
43M
yangxb
0.001
2115
Au
14
Si
8
2685.991
0.290
43M
yangxb
0.001
2116
Au
14
Si
8
2685.705
0.290
43M
yangxb
0.001
2117
Au
14
Si
8
2686.219
0.290
43M
yangxb
0.001
2118
Au
14
Si
8
2685.485
0.290
43M
yangxb
0.001
2119
Au
14
Si
8
2686.087
0.290
43M
yangxb
0.001
2120
Au
14
Si
8
2685.992
0.290
43M
yangxb
0.001
2121
Au
14
Si
8
2685.774
0.290
43M
yangxb
0.001
2122
Au
14
Si
8
2685.041
0.290
43M
yangxb
0.000
2123
Au
14
Si
8
2685.455
0.290
43M
yangxb
0.001
2124
Au
14
Si
8
2685.607
0.290
43M
yangxb
0.001
2125
Au
14
Si
8
2686.065
0.290
43M
yangxb
0.001
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