CdInCl2
Alexandria ALEXAlex-ID: agm005802777 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9090_spg15
CdInCl3 Cd4In3 CdIn6
2023-07-11 22:24:47.108334
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802777).
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 agm005802777
data_agm005802777
_cell_length_a 6.17238
_cell_length_b 7.69668
_cell_length_c 5.96161
_cell_angle_alpha 98.85496
_cell_angle_beta 121.17638
_cell_angle_gamma 89.99967
_cell_volume 238.36002
_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 0.04244 0.91872 0.07087 1.00000
Cd2 Cd 0.04245 0.41873 0.07088 1.00000
In1 In 0.54246 0.91873 0.57087 1.00000
In2 In 0.04247 0.41873 0.57088 1.00000
Cl1 Cl 0.30698 0.74612 0.75828 1.00000
Cl2 Cl 0.77793 0.09135 0.38347 1.00000
Cl3 Cl 0.61960 0.59134 0.38346 1.00000
Cl4 Cl 0.46534 0.24612 0.75828 1.00000
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