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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
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 1-200 out of 594
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last_column file
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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_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 200
10
25
50
100
200
↓
ID
✕
Formula
✕
Age
✕
Mass
✕
1
C
60
H
18
53M
738.804
2
C
60
H
18
53M
738.804
3
C
60
H
18
53M
738.804
4
C
60
H
18
53M
738.804
5
C
60
H
18
53M
738.804
6
C
60
H
18
53M
738.804
7
C
60
H
18
53M
738.804
8
C
60
H
18
53M
738.804
9
C
60
H
18
53M
738.804
10
C
60
H
18
53M
738.804
11
C
60
H
18
53M
738.804
12
C
60
H
18
53M
738.804
13
C
60
H
18
53M
738.804
14
C
60
H
18
53M
738.804
15
C
60
H
18
53M
738.804
16
C
60
H
18
53M
738.804
17
C
60
H
18
53M
738.804
18
C
60
H
18
53M
738.804
19
C
60
H
18
53M
738.804
20
C
60
H
18
53M
738.804
21
C
60
H
18
53M
738.804
22
C
60
H
18
53M
738.804
23
C
60
H
18
53M
738.804
24
C
60
H
18
53M
738.804
25
C
60
H
18
53M
738.804
26
C
60
H
18
53M
738.804
27
C
60
H
18
53M
738.804
28
C
60
H
18
53M
738.804
29
C
60
H
18
53M
738.804
30
C
60
H
18
53M
738.804
31
C
60
H
18
53M
738.804
32
C
60
H
18
53M
738.804
33
C
60
H
18
53M
738.804
34
C
60
H
18
53M
738.804
35
C
60
H
18
53M
738.804
36
C
60
H
18
53M
738.804
37
C
60
H
18
53M
738.804
38
C
60
H
18
53M
738.804
39
C
60
H
18
53M
738.804
40
C
60
H
18
53M
738.804
41
C
60
H
18
53M
738.804
42
C
60
H
18
53M
738.804
43
C
60
H
18
53M
738.804
44
C
60
H
18
53M
738.804
45
C
60
H
18
53M
738.804
46
C
60
H
18
53M
738.804
47
C
60
H
18
53M
738.804
48
C
60
H
18
53M
738.804
49
C
60
H
18
53M
738.804
50
C
60
H
18
53M
738.804
51
C
60
H
18
53M
738.804
52
C
60
H
18
53M
738.804
53
C
60
H
18
53M
738.804
54
C
60
H
18
53M
738.804
55
C
60
H
18
53M
738.804
56
C
60
H
18
53M
738.804
57
C
60
H
18
53M
738.804
58
C
60
H
18
53M
738.804
59
C
60
H
18
53M
738.804
60
C
60
H
18
53M
738.804
61
C
60
H
18
53M
738.804
62
C
60
H
18
53M
738.804
63
C
60
H
18
53M
738.804
64
C
60
H
18
53M
738.804
65
C
60
H
18
53M
738.804
66
C
60
H
18
53M
738.804
67
C
60
H
18
53M
738.804
68
C
60
H
18
53M
738.804
69
C
60
H
18
53M
738.804
70
C
60
H
18
53M
738.804
71
C
60
H
18
53M
738.804
72
C
60
H
18
53M
738.804
73
C
60
H
18
53M
738.804
74
C
60
H
18
53M
738.804
75
C
60
H
18
53M
738.804
76
C
60
H
18
53M
738.804
77
C
60
H
18
53M
738.804
78
C
60
H
18
53M
738.804
79
C
60
H
18
53M
738.804
80
C
60
H
18
53M
738.804
81
C
60
H
18
53M
738.804
82
C
60
H
18
53M
738.804
83
C
60
H
18
53M
738.804
84
C
60
H
18
53M
738.804
85
C
60
H
18
53M
738.804
86
C
60
H
18
53M
738.804
87
C
60
H
18
53M
738.804
88
C
60
H
18
53M
738.804
89
C
60
H
18
53M
738.804
90
C
60
H
18
53M
738.804
91
C
60
H
18
53M
738.804
92
C
60
H
18
53M
738.804
93
C
60
H
18
53M
738.804
94
C
60
H
18
53M
738.804
95
C
60
H
18
53M
738.804
96
C
60
H
18
53M
738.804
97
C
60
H
18
53M
738.804
98
C
60
H
18
53M
738.804
99
C
60
H
18
53M
738.804
100
C
60
H
18
53M
738.804
101
C
60
H
18
53M
738.804
102
C
60
H
18
53M
738.804
103
C
60
H
18
53M
738.804
104
C
60
H
18
53M
738.804
105
C
60
H
18
53M
738.804
106
C
60
H
18
53M
738.804
107
C
60
H
18
53M
738.804
108
C
60
H
18
53M
738.804
109
C
60
H
18
53M
738.804
110
C
60
H
18
53M
738.804
111
C
60
H
18
53M
738.804
112
C
60
H
18
53M
738.804
113
C
60
H
18
53M
738.804
114
C
60
H
18
53M
738.804
115
C
60
H
18
53M
738.804
116
C
60
H
18
53M
738.804
117
C
60
H
18
53M
738.804
118
C
60
H
18
53M
738.804
119
C
60
H
18
53M
738.804
120
C
60
H
18
53M
738.804
121
C
60
H
18
53M
738.804
122
C
60
H
18
53M
738.804
123
C
60
H
18
53M
738.804
124
C
60
H
18
53M
738.804
125
C
60
H
18
53M
738.804
126
C
60
H
18
53M
738.804
127
C
60
H
18
53M
738.804
128
C
60
H
18
53M
738.804
129
C
60
H
18
53M
738.804
130
C
60
H
18
53M
738.804
131
C
60
H
18
53M
738.804
132
C
60
H
18
53M
738.804
133
C
60
H
18
53M
738.804
134
C
60
H
18
53M
738.804
135
C
60
H
18
53M
738.804
136
C
60
H
18
53M
738.804
137
C
60
H
18
53M
738.804
138
C
60
H
18
53M
738.804
139
C
60
H
18
53M
738.804
140
C
60
H
18
53M
738.804
141
C
60
H
18
53M
738.804
142
C
60
H
18
53M
738.804
143
C
60
H
18
53M
738.804
144
C
60
H
18
53M
738.804
145
C
60
H
18
53M
738.804
146
C
60
H
18
53M
738.804
147
C
60
H
18
53M
738.804
148
C
60
H
18
53M
738.804
149
C
60
H
18
53M
738.804
150
C
60
H
18
53M
738.804
151
C
60
H
18
53M
738.804
152
C
60
H
18
53M
738.804
153
C
60
H
18
53M
738.804
154
C
60
H
18
53M
738.804
155
C
60
H
18
53M
738.804
156
C
60
H
18
53M
738.804
157
C
60
H
18
53M
738.804
158
C
60
H
18
53M
738.804
159
C
60
H
18
53M
738.804
160
C
60
H
18
53M
738.804
161
C
60
H
18
53M
738.804
162
C
60
H
18
53M
738.804
163
C
60
H
18
53M
738.804
164
C
60
H
18
53M
738.804
165
C
60
H
18
53M
738.804
166
C
60
H
18
53M
738.804
167
C
60
H
18
53M
738.804
168
C
60
H
18
53M
738.804
169
C
60
H
18
53M
738.804
170
C
60
H
18
53M
738.804
171
C
60
H
18
53M
738.804
172
C
60
H
18
53M
738.804
173
C
60
H
18
53M
738.804
174
C
60
H
18
53M
738.804
175
C
60
H
18
53M
738.804
176
C
60
H
18
53M
738.804
177
C
60
H
18
53M
738.804
178
C
60
H
18
53M
738.804
179
C
60
H
18
53M
738.804
180
C
60
H
18
53M
738.804
181
C
60
H
18
53M
738.804
182
C
60
H
18
53M
738.804
183
C
60
H
18
53M
738.804
184
C
60
H
18
53M
738.804
185
C
60
H
18
53M
738.804
186
C
60
H
18
53M
738.804
187
C
60
H
18
53M
738.804
188
C
60
H
18
53M
738.804
189
C
60
H
18
53M
738.804
190
C
60
H
18
53M
738.804
191
C
60
H
18
53M
738.804
192
C
60
H
18
53M
738.804
193
C
60
H
18
53M
738.804
194
C
60
H
18
53M
738.804
195
C
60
H
18
53M
738.804
196
C
60
H
18
53M
738.804
197
C
60
H
18
53M
738.804
198
C
60
H
18
53M
738.804
199
C
60
H
18
53M
738.804
200
C
60
H
18
53M
738.804
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