Cd2Ni(ClO2)6
Alexandria ALEXAlex-ID: agm006229230 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D12_32_spg43
Cd(ClO)2 Ni(ClO3)2 NiO8 ClO2
2024-10-30 23:38:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006229230).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006229230
data_agm006229230
_cell_length_a 14.99677
_cell_length_b 12.13193
_cell_length_c 10.33200
_cell_angle_alpha 83.35015
_cell_angle_beta 53.46822
_cell_angle_gamma 43.18163
_cell_volume 842.89886
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd1 Cd 0.10498 0.41318 0.99547 1.00000
Cd2 Cd 0.48637 0.99547 0.41318 1.00000
Cd3 Cd 0.83682 0.14502 0.76363 1.00000
Cd4 Cd 0.25453 0.76363 0.14502 1.00000
Ni1 Ni 0.98366 0.51634 0.51634 1.00000
Ni2 Ni 0.73366 0.26634 0.26634 1.00000
Cl1 Cl 0.84215 0.78804 0.18259 1.00000
Cl2 Cl 0.18722 0.18259 0.78804 1.00000
Cl3 Cl 0.46196 0.40785 0.06278 1.00000
Cl4 Cl 0.06741 0.06278 0.40785 1.00000
Cl5 Cl 0.45172 0.19513 0.76518 1.00000
Cl6 Cl 0.58796 0.76518 0.19513 1.00000
Cl7 Cl 0.05487 0.79828 0.66204 1.00000
Cl8 Cl 0.48482 0.66204 0.79828 1.00000
Cl9 Cl 0.92767 0.41622 0.28196 1.00000
Cl10 Cl 0.37416 0.28196 0.41622 1.00000
Cl11 Cl 0.83378 0.32233 0.87584 1.00000
Cl12 Cl 0.96804 0.87584 0.32233 1.00000
O1 O 0.09772 0.52748 0.79668 1.00000
O2 O 0.57811 0.79668 0.52748 1.00000
O3 O 0.72252 0.15228 0.67189 1.00000
O4 O 0.45332 0.67189 0.15228 1.00000
O5 O 0.84709 0.51129 0.56714 1.00000
O6 O 0.07448 0.56714 0.51129 1.00000
O7 O 0.73871 0.40291 0.17552 1.00000
O8 O 0.68286 0.17552 0.40291 1.00000
O9 O 0.13596 0.39030 0.25610 1.00000
O10 O 0.21763 0.25610 0.39030 1.00000
O11 O 0.85970 0.11404 0.03237 1.00000
O12 O 0.99390 0.03237 0.11404 1.00000
O13 O 0.74607 0.77361 0.64581 1.00000
O14 O 0.83451 0.64581 0.77361 1.00000
O15 O 0.47639 0.50393 0.41549 1.00000
O16 O 0.60419 0.41549 0.50393 1.00000
O17 O 0.87273 0.77595 0.84011 1.00000
O18 O 0.51122 0.84011 0.77595 1.00000
O19 O 0.47405 0.37727 0.73878 1.00000
O20 O 0.40989 0.73878 0.37727 1.00000
O21 O 0.56942 0.14313 0.88041 1.00000
O22 O 0.40705 0.88041 0.14313 1.00000
O23 O 0.10687 0.68058 0.84295 1.00000
O24 O 0.36959 0.84295 0.68058 1.00000
