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