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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 76-100 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
✕
76
Au
10
Si
4
1722.021
0.237
43M
yangxb
0.001
77
Au
10
Si
4
1722.604
0.236
43M
yangxb
0.001
78
Au
10
Si
4
1721.777
0.236
43M
yangxb
0.001
79
Au
10
Si
4
1721.742
0.236
43M
yangxb
0.001
80
Au
10
Si
4
1721.845
0.236
43M
yangxb
0.001
81
Au
10
Si
4
1721.747
0.237
43M
yangxb
0.001
82
Au
10
Si
4
1721.884
0.236
43M
yangxb
0.001
83
Au
10
Si
4
1721.746
0.236
43M
yangxb
0.000
84
Au
10
Si
4
1722.084
0.237
43M
yangxb
0.001
85
Au
10
Si
4
1722.501
0.237
43M
yangxb
0.001
86
Au
10
Si
4
1721.378
0.236
43M
yangxb
0.001
87
Au
10
Si
4
1721.753
0.236
43M
yangxb
0.001
88
Au
10
Si
4
1722.208
0.237
43M
yangxb
0.001
89
Au
20
Si
8
3442.401
0.233
43M
yangxb
0.001
90
Au
10
Si
6
1897.249
0.303
43M
yangxb
0.001
91
Au
10
Si
6
1897.081
0.303
43M
yangxb
0.001
92
Au
10
Si
6
1897.221
0.303
43M
yangxb
0.001
93
Au
10
Si
6
1897.289
0.303
43M
yangxb
0.001
94
Au
10
Si
6
1897.381
0.303
43M
yangxb
0.001
95
Au
10
Si
6
1897.418
0.303
43M
yangxb
0.001
96
Au
10
Si
6
1897.258
0.303
43M
yangxb
0.001
97
Au
10
Si
6
1897.158
0.303
43M
yangxb
0.001
98
Au
10
Si
6
1897.320
0.303
43M
yangxb
0.000
99
Au
10
Si
6
1897.134
0.303
43M
yangxb
0.001
100
Au
10
Si
6
1897.424
0.303
43M
yangxb
0.001
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