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SAGAR
Database
MATLAB-code
ASE database
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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
perms_num
perms_number
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 1-17 out of 17
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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)
Periodic boundary conditions (pbc)
perms_number
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 100
10
25
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200
↓
ID
✕
Formula
✕
Mass
✕
1
C
60
H
36
756.948
2
C
60
H
36
756.948
3
C
60
H
36
756.948
4
C
60
H
36
756.948
5
C
60
H
36
756.948
6
C
60
H
36
756.948
7
C
60
H
36
756.948
8
C
60
H
36
756.948
9
C
60
H
36
756.948
10
C
60
H
36
756.948
11
C
60
H
36
756.948
12
C
60
H
36
756.948
13
C
60
H
36
756.948
14
C
60
H
36
756.948
15
C
60
H
36
756.948
16
C
60
H
36
756.948
17
C
60
H
36
756.948
18
C
60
H
36
756.948
19
C
60
H
36
756.948
20
C
60
H
36
756.948
21
C
60
H
36
756.948
22
C
60
H
36
756.948
23
C
60
H
36
756.948
24
C
60
H
36
756.948
25
C
60
H
36
756.948
26
C
60
H
36
756.948
27
C
60
H
36
756.948
28
C
60
H
36
756.948
29
C
60
H
36
756.948
30
C
60
H
36
756.948
31
C
60
H
36
756.948
32
C
60
H
36
756.948
33
C
60
H
36
756.948
34
C
60
H
36
756.948
35
C
60
H
36
756.948
36
C
60
H
36
756.948
37
C
60
H
36
756.948
38
C
60
H
36
756.948
39
C
60
H
36
756.948
40
C
60
H
36
756.948
41
C
60
H
36
756.948
42
C
60
H
36
756.948
43
C
60
H
36
756.948
44
C
60
H
36
756.948
45
C
60
H
36
756.948
46
C
60
H
36
756.948
47
C
60
H
36
756.948
48
C
60
H
36
756.948
49
C
60
H
36
756.948
50
C
60
H
36
756.948
51
C
60
H
36
756.948
52
C
60
H
36
756.948
53
C
60
H
36
756.948
54
C
60
H
36
756.948
55
C
60
H
36
756.948
56
C
60
H
36
756.948
57
C
60
H
36
756.948
58
C
60
H
36
756.948
59
C
60
H
36
756.948
60
C
60
H
36
756.948
61
C
60
H
36
756.948
62
C
60
H
36
756.948
63
C
60
H
36
756.948
64
C
60
H
36
756.948
65
C
60
H
36
756.948
66
C
60
H
36
756.948
67
C
60
H
36
756.948
68
C
60
H
36
756.948
69
C
60
H
36
756.948
70
C
60
H
36
756.948
71
C
60
H
36
756.948
72
C
60
H
36
756.948
73
C
60
H
36
756.948
74
C
60
H
36
756.948
75
C
60
H
36
756.948
76
C
60
H
36
756.948
77
C
60
H
36
756.948
78
C
60
H
36
756.948
79
C
60
H
36
756.948
80
C
60
H
36
756.948
81
C
60
H
36
756.948
82
C
60
H
36
756.948
83
C
60
H
36
756.948
84
C
60
H
36
756.948
85
C
60
H
36
756.948
86
C
60
H
36
756.948
87
C
60
H
36
756.948
88
C
60
H
36
756.948
89
C
60
H
36
756.948
90
C
60
H
36
756.948
91
C
60
H
36
756.948
92
C
60
H
36
756.948
93
C
60
H
36
756.948
94
C
60
H
36
756.948
95
C
60
H
36
756.948
96
C
60
H
36
756.948
97
C
60
H
36
756.948
98
C
60
H
36
756.948
99
C
60
H
36
756.948
100
C
60
H
36
756.948
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