ZnCd4(InSe2)10
Alexandria ALEXAlex-ID: agm021024078 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10D20_1_spg1
Zn(InSe2)2 Cd(InSe2)2
2024-12-06 12:47:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021024078).
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 agm021024078
data_agm021024078
_cell_length_a 5.94826
_cell_length_b 7.23884
_cell_length_c 26.55677
_cell_angle_alpha 90.38098
_cell_angle_beta 90.02252
_cell_angle_gamma 114.26052
_cell_volume 1042.47871
_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
Zn1 Zn 0.19635 0.39794 0.80000 1.00000
Cd1 Cd 0.00874 0.01418 0.99733 1.00000
Cd2 Cd 0.80300 0.60542 0.19926 1.00000
Cd3 Cd 0.59839 0.19596 0.40094 1.00000
Cd4 Cd 0.39384 0.78714 0.60271 1.00000
In1 In 0.60523 0.21446 0.89716 1.00000
In2 In 0.19966 0.39865 0.29979 1.00000
In3 In 0.40370 0.80707 0.09750 1.00000
In4 In 0.79540 0.59018 0.70373 1.00000
In5 In 0.99582 0.98974 0.50170 1.00000
In6 In 0.30844 0.61173 0.94651 1.00000
In7 In 0.10326 0.20644 0.14859 1.00000
In8 In 0.89912 0.79745 0.35044 1.00000
In9 In 0.69592 0.38905 0.55219 1.00000
In10 In 0.49304 0.99550 0.75239 1.00000
Se1 Se 0.51524 0.49784 0.11641 1.00000
Se2 Se 0.10760 0.67991 0.51974 1.00000
Se3 Se 0.31089 0.08876 0.31812 1.00000
Se4 Se 0.71885 0.90511 0.91485 1.00000
Se5 Se 0.91774 0.28709 0.72447 1.00000
Se6 Se 0.07570 0.68195 0.02397 1.00000
Se7 Se 0.66764 0.86561 0.42837 1.00000
Se8 Se 0.87159 0.27452 0.22644 1.00000
Se9 Se 0.26367 0.09259 0.82639 1.00000
Se10 Se 0.46725 0.45892 0.63034 1.00000
Se11 Se 0.00607 0.52643 0.86832 1.00000
Se12 Se 0.58890 0.72569 0.27428 1.00000
Se13 Se 0.79369 0.13410 0.07226 1.00000
Se14 Se 0.18095 0.91695 0.67629 1.00000
Se15 Se 0.38498 0.31655 0.47612 1.00000
Se16 Se 0.44276 0.32759 0.97860 1.00000
Se17 Se 0.02955 0.50915 0.38084 1.00000
Se18 Se 0.23397 0.91788 0.17860 1.00000
Se19 Se 0.59735 0.69174 0.78255 1.00000
Se20 Se 0.82570 0.10071 0.58277 1.00000
