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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 1-127 out of 127
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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_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 200
10
25
50
100
200
↓
ID
✕
Formula
✕
Mass
✕
1
C
60
H
24
744.852
2
C
60
H
24
744.852
3
C
60
H
24
744.852
4
C
60
H
24
744.852
5
C
60
H
24
744.852
6
C
60
H
24
744.852
7
C
60
H
24
744.852
8
C
60
H
24
744.852
9
C
60
H
24
744.852
10
C
60
H
24
744.852
11
C
60
H
24
744.852
12
C
60
H
24
744.852
13
C
60
H
24
744.852
14
C
60
H
24
744.852
15
C
60
H
24
744.852
16
C
60
H
24
744.852
17
C
60
H
24
744.852
18
C
60
H
24
744.852
19
C
60
H
24
744.852
20
C
60
H
24
744.852
21
C
60
H
24
744.852
22
C
60
H
24
744.852
23
C
60
H
24
744.852
24
C
60
H
24
744.852
25
C
60
H
24
744.852
26
C
60
H
24
744.852
27
C
60
H
24
744.852
28
C
60
H
24
744.852
29
C
60
H
24
744.852
30
C
60
H
24
744.852
31
C
60
H
24
744.852
32
C
60
H
24
744.852
33
C
60
H
24
744.852
34
C
60
H
24
744.852
35
C
60
H
24
744.852
36
C
60
H
24
744.852
37
C
60
H
24
744.852
38
C
60
H
24
744.852
39
C
60
H
24
744.852
40
C
60
H
24
744.852
41
C
60
H
24
744.852
42
C
60
H
24
744.852
43
C
60
H
24
744.852
44
C
60
H
24
744.852
45
C
60
H
24
744.852
46
C
60
H
24
744.852
47
C
60
H
24
744.852
48
C
60
H
24
744.852
49
C
60
H
24
744.852
50
C
60
H
24
744.852
51
C
60
H
24
744.852
52
C
60
H
24
744.852
53
C
60
H
24
744.852
54
C
60
H
24
744.852
55
C
60
H
24
744.852
56
C
60
H
24
744.852
57
C
60
H
24
744.852
58
C
60
H
24
744.852
59
C
60
H
24
744.852
60
C
60
H
24
744.852
61
C
60
H
24
744.852
62
C
60
H
24
744.852
63
C
60
H
24
744.852
64
C
60
H
24
744.852
65
C
60
H
24
744.852
66
C
60
H
24
744.852
67
C
60
H
24
744.852
68
C
60
H
24
744.852
69
C
60
H
24
744.852
70
C
60
H
24
744.852
71
C
60
H
24
744.852
72
C
60
H
24
744.852
73
C
60
H
24
744.852
74
C
60
H
24
744.852
75
C
60
H
24
744.852
76
C
60
H
24
744.852
77
C
60
H
24
744.852
78
C
60
H
24
744.852
79
C
60
H
24
744.852
80
C
60
H
24
744.852
81
C
60
H
24
744.852
82
C
60
H
24
744.852
83
C
60
H
24
744.852
84
C
60
H
24
744.852
85
C
60
H
24
744.852
86
C
60
H
24
744.852
87
C
60
H
24
744.852
88
C
60
H
24
744.852
89
C
60
H
24
744.852
90
C
60
H
24
744.852
91
C
60
H
24
744.852
92
C
60
H
24
744.852
93
C
60
H
24
744.852
94
C
60
H
24
744.852
95
C
60
H
24
744.852
96
C
60
H
24
744.852
97
C
60
H
24
744.852
98
C
60
H
24
744.852
99
C
60
H
24
744.852
100
C
60
H
24
744.852
101
C
60
H
24
744.852
102
C
60
H
24
744.852
103
C
60
H
24
744.852
104
C
60
H
24
744.852
105
C
60
H
24
744.852
106
C
60
H
24
744.852
107
C
60
H
24
744.852
108
C
60
H
24
744.852
109
C
60
H
24
744.852
110
C
60
H
24
744.852
111
C
60
H
24
744.852
112
C
60
H
24
744.852
113
C
60
H
24
744.852
114
C
60
H
24
744.852
115
C
60
H
24
744.852
116
C
60
H
24
744.852
117
C
60
H
24
744.852
118
C
60
H
24
744.852
119
C
60
H
24
744.852
120
C
60
H
24
744.852
121
C
60
H
24
744.852
122
C
60
H
24
744.852
123
C
60
H
24
744.852
124
C
60
H
24
744.852
125
C
60
H
24
744.852
126
C
60
H
24
744.852
127
C
60
H
24
744.852
128
C
60
H
24
744.852
129
C
60
H
24
744.852
130
C
60
H
24
744.852
131
C
60
H
24
744.852
132
C
60
H
24
744.852
133
C
60
H
24
744.852
134
C
60
H
24
744.852
135
C
60
H
24
744.852
136
C
60
H
24
744.852
137
C
60
H
24
744.852
138
C
60
H
24
744.852
139
C
60
H
24
744.852
140
C
60
H
24
744.852
141
C
60
H
24
744.852
142
C
60
H
24
744.852
143
C
60
H
24
744.852
144
C
60
H
24
744.852
145
C
60
H
24
744.852
146
C
60
H
24
744.852
147
C
60
H
24
744.852
148
C
60
H
24
744.852
149
C
60
H
24
744.852
150
C
60
H
24
744.852
151
C
60
H
24
744.852
152
C
60
H
24
744.852
153
C
60
H
24
744.852
154
C
60
H
24
744.852
155
C
60
H
24
744.852
156
C
60
H
24
744.852
157
C
60
H
24
744.852
158
C
60
H
24
744.852
159
C
60
H
24
744.852
160
C
60
H
24
744.852
161
C
60
H
24
744.852
162
C
60
H
24
744.852
163
C
60
H
24
744.852
164
C
60
H
24
744.852
165
C
60
H
24
744.852
166
C
60
H
24
744.852
167
C
60
H
24
744.852
168
C
60
H
24
744.852
169
C
60
H
24
744.852
170
C
60
H
24
744.852
171
C
60
H
24
744.852
172
C
60
H
24
744.852
173
C
60
H
24
744.852
174
C
60
H
24
744.852
175
C
60
H
24
744.852
176
C
60
H
24
744.852
177
C
60
H
24
744.852
178
C
60
H
24
744.852
179
C
60
H
24
744.852
180
C
60
H
24
744.852
181
C
60
H
24
744.852
182
C
60
H
24
744.852
183
C
60
H
24
744.852
184
C
60
H
24
744.852
185
C
60
H
24
744.852
186
C
60
H
24
744.852
187
C
60
H
24
744.852
188
C
60
H
24
744.852
189
C
60
H
24
744.852
190
C
60
H
24
744.852
191
C
60
H
24
744.852
192
C
60
H
24
744.852
193
C
60
H
24
744.852
194
C
60
H
24
744.852
195
C
60
H
24
744.852
196
C
60
H
24
744.852
197
C
60
H
24
744.852
198
C
60
H
24
744.852
199
C
60
H
24
744.852
200
C
60
H
24
744.852
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