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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 26-50 out of 2180
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Au_rate
E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
✕
Age
✕
Energy
✕
26
Au
10
Si
4
1721.431
0.286
TTT
2082.006
yangxb
43M
-50.373
27
Au
10
Si
4
1721.907
0.286
TTT
2082.006
yangxb
43M
-50.380
28
Au
10
Si
4
1721.764
0.286
TTT
2082.006
yangxb
43M
-50.378
29
Au
10
Si
4
1721.743
0.286
TTT
2082.006
yangxb
43M
-50.370
30
Au
10
Si
4
1721.783
0.286
TTT
2082.006
yangxb
43M
-50.379
31
Au
10
Si
4
1721.196
0.286
TTT
2082.006
yangxb
43M
-50.380
32
Au
10
Si
4
1721.686
0.286
TTT
2082.006
yangxb
43M
-50.383
33
Au
10
Si
4
1721.952
0.286
TTT
2082.006
yangxb
43M
-50.372
34
Au
10
Si
4
1722.454
0.286
TTT
2082.006
yangxb
43M
-50.365
35
Au
10
Si
4
1722.269
0.286
TTT
2082.006
yangxb
43M
-50.370
36
Au
10
Si
4
1722.023
0.286
TTT
2082.006
yangxb
43M
-50.375
37
Au
10
Si
4
1721.960
0.286
TTT
2082.006
yangxb
43M
-50.371
38
Au
10
Si
4
1721.867
0.286
TTT
2082.006
yangxb
43M
-50.378
39
Au
10
Si
4
1721.952
0.286
TTT
2082.006
yangxb
43M
-50.380
40
Au
10
Si
4
1721.748
0.286
TTT
2082.006
yangxb
43M
-50.379
41
Au
10
Si
4
1721.747
0.286
TTT
2082.006
yangxb
43M
-50.380
42
Au
10
Si
4
1722.174
0.286
TTT
2082.006
yangxb
43M
-50.381
43
Au
10
Si
4
1721.793
0.286
TTT
2082.006
yangxb
43M
-50.378
44
Au
10
Si
4
1722.066
0.286
TTT
2082.006
yangxb
43M
-50.365
45
Au
10
Si
4
1721.811
0.286
TTT
2082.006
yangxb
43M
-50.382
46
Au
10
Si
4
1721.955
0.286
TTT
2082.006
yangxb
43M
-50.373
47
Au
10
Si
4
1721.958
0.286
TTT
2082.006
yangxb
43M
-50.376
48
Au
10
Si
4
1721.958
0.286
TTT
2082.006
yangxb
43M
-50.381
49
Au
10
Si
4
1721.802
0.286
TTT
2082.006
yangxb
43M
-50.377
50
Au
10
Si
4
1721.991
0.286
TTT
2082.006
yangxb
43M
-50.373
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