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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 51-75 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)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
Si_rate
✕
PBC
✕
Mass
✕
Username
✕
51
Au
10
Si
4
1722.065
0.286
TTT
2082.006
yangxb
52
Au
10
Si
4
1722.084
0.286
TTT
2082.006
yangxb
53
Au
10
Si
4
1721.872
0.286
TTT
2082.006
yangxb
54
Au
10
Si
4
1721.756
0.286
TTT
2082.006
yangxb
55
Au
10
Si
4
1722.394
0.286
TTT
2082.006
yangxb
56
Au
10
Si
4
1721.851
0.286
TTT
2082.006
yangxb
57
Au
10
Si
4
1722.306
0.286
TTT
2082.006
yangxb
58
Au
10
Si
4
1721.615
0.286
TTT
2082.006
yangxb
59
Au
10
Si
4
1721.847
0.286
TTT
2082.006
yangxb
60
Au
10
Si
4
1721.793
0.286
TTT
2082.006
yangxb
61
Au
10
Si
4
1722.559
0.286
TTT
2082.006
yangxb
62
Au
10
Si
4
1722.116
0.286
TTT
2082.006
yangxb
63
Au
10
Si
4
1721.925
0.286
TTT
2082.006
yangxb
64
Au
10
Si
4
1722.036
0.286
TTT
2082.006
yangxb
65
Au
10
Si
4
1722.233
0.286
TTT
2082.006
yangxb
66
Au
10
Si
4
1721.854
0.286
TTT
2082.006
yangxb
67
Au
10
Si
4
1721.921
0.286
TTT
2082.006
yangxb
68
Au
10
Si
4
1721.609
0.286
TTT
2082.006
yangxb
69
Au
10
Si
4
1722.079
0.286
TTT
2082.006
yangxb
70
Au
10
Si
4
1721.780
0.286
TTT
2082.006
yangxb
71
Au
10
Si
4
1721.898
0.286
TTT
2082.006
yangxb
72
Au
10
Si
4
1721.789
0.286
TTT
2082.006
yangxb
73
Au
10
Si
4
1721.708
0.286
TTT
2082.006
yangxb
74
Au
10
Si
4
1722.059
0.286
TTT
2082.006
yangxb
75
Au
10
Si
4
1721.863
0.286
TTT
2082.006
yangxb
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