Home
SAGAR
Database
MATLAB-code
ASE database
Help with constructing advanced search queries ...
Toggle list of keys ...
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 151-200 out of 414
Download
Database file
JSON file
VASP file
last_column file
Convex Diagram
Add Column
Time since creation (age)
ASE-calculator name (calculator)
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)
Volume of unit cell (volume)
Rows: 50
10
25
50
100
200
↓
ID
✕
Formula
✕
Username
✕
151
C
60
H
36
hecc
152
C
60
H
36
hecc
153
C
60
H
36
hecc
154
C
60
H
36
hecc
155
C
60
H
36
hecc
156
C
60
H
36
hecc
157
C
60
H
36
hecc
158
C
60
H
36
hecc
159
C
60
H
36
hecc
160
C
60
H
36
hecc
161
C
60
H
36
hecc
162
C
60
H
36
hecc
163
C
60
H
36
hecc
164
C
60
H
36
hecc
165
C
60
H
36
hecc
166
C
60
H
36
hecc
167
C
60
H
36
hecc
168
C
60
H
36
hecc
169
C
60
H
36
hecc
170
C
60
H
36
hecc
171
C
60
H
36
hecc
172
C
60
H
36
hecc
173
C
60
H
36
hecc
174
C
60
H
36
hecc
175
C
60
H
36
hecc
176
C
60
H
36
hecc
177
C
60
H
36
hecc
178
C
60
H
36
hecc
179
C
60
H
36
hecc
180
C
60
H
36
hecc
181
C
60
H
36
hecc
182
C
60
H
36
hecc
183
C
60
H
36
hecc
184
C
60
H
36
hecc
185
C
60
H
36
hecc
186
C
60
H
36
hecc
187
C
60
H
36
hecc
188
C
60
H
36
hecc
189
C
60
H
36
hecc
190
C
60
H
36
hecc
191
C
60
H
36
hecc
192
C
60
H
36
hecc
193
C
60
H
36
hecc
194
C
60
H
36
hecc
195
C
60
H
36
hecc
196
C
60
H
36
hecc
197
C
60
H
36
hecc
198
C
60
H
36
hecc
199
C
60
H
36
hecc
200
C
60
H
36
hecc
«
1
2
3
4
5
6
7
8
9
»