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MATLAB-code
ASE database
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Dipole_val
ads_E
ads_site
age
Time since creation
atom_E
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
distance
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
plane_index
slab_E
smax
Maximum stress on unit cell
eV/Ang
3
str_E
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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VASP file
last_column file
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Dipole_val
ads_E
ads_site
Time since creation (age)
atom_E
ASE-calculator name (calculator)
Net charge in unit cell (charge)
distance
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
plane_index
slab_E
Maximum stress on unit cell (smax)
str_E
Username (user)
Volume of unit cell (volume)
Rows: 200
10
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200
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ID
✕
Magnetic moment
✕
1
0.000
2
0.000
3
-0.000
4
0.000
5
0.000
6
-0.000
7
-0.000
8
0.000
9
0.000
10
0.000
11
-0.000
12
0.000
13
-0.000
14
-0.000
15
0.000
16
0.000
17
0.000
18
-0.000
19
0.000
20
-0.000
21
0.000
22
-0.000
23
-0.000
24
0.000
25
0.000
26
-0.000
27
0.000
28
0.000
29
0.000
30
0.000
31
-0.000
32
-0.000
33
-0.000
34
0.000
35
0.000
36
0.000
37
-0.000
38
0.000
39
-0.000
40
0.000
41
0.000
42
0.000
43
0.000
44
0.000
45
-0.000
46
0.000
47
0.000
48
-0.000
49
0.000
50
-0.000
51
-0.002
52
-0.000
53
-0.000
54
0.000
55
0.000
56
0.000
57
-0.000
58
0.000
59
0.000
60
-0.000
61
0.000
62
-0.000
63
-0.000
64
0.000
65
0.000
66
-0.000
67
-0.000
68
0.000
69
-0.000
70
0.000
71
0.000
72
0.000
73
0.000
74
-0.000
75
0.000
76
0.000
77
0.000
78
0.000
79
0.000
80
-0.000
81
0.000
82
0.000
83
-0.000
84
-0.000
85
0.000
86
-0.000
87
-0.000
88
-0.000
89
-0.000
90
-0.000
91
0.000
92
0.000
93
-0.000
94
-0.000
95
-0.000
96
-0.000
97
0.000
98
-0.000
99
-0.000
100
-0.000
101
-0.000
102
0.000
103
-0.000
104
-0.000
105
-0.003
106
-0.000
107
-0.000
108
-0.000
109
0.000
110
0.000
111
-0.000
112
-0.004
113
0.000
114
0.001
115
0.000
116
-0.000
117
0.000
118
-0.000
119
-0.000
120
0.000
121
0.000
122
-0.000
123
0.000
124
-0.000
125
-0.000
126
-0.000
127
0.000
128
0.000
129
-0.000
130
0.000
131
0.000
132
0.000
133
-0.001
134
-0.000
135
-0.000
136
0.000
137
0.000
138
-0.000
139
0.000
140
0.000
141
-0.000
142
0.000
143
-0.000
144
0.000
145
-0.000
146
0.000
147
0.000
148
-0.000
149
-0.000
150
-0.000
151
-0.000
152
-0.000
153
0.000
154
0.000
155
-0.000
156
0.000
157
0.000
158
0.000
159
0.000
160
-0.000
161
0.000
162
0.000
163
0.000
164
-0.000
165
0.000
166
0.000
167
0.000
168
-0.000
169
0.000
170
-0.000
171
0.000
172
0.000
173
0.000
174
-0.000
175
0.000
176
0.000
177
-0.000
178
-0.000
179
0.000
180
0.000
181
0.000
182
-0.000
183
0.000
184
0.000
185
-0.000
186
0.001
187
-0.000
188
0.000
189
-0.000
190
-0.000
191
0.000
192
0.000
193
0.000
194
0.000
195
-0.000
196
0.000
197
-0.000
198
-0.000
199
-0.000
200
0.000
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