CdP4Cl
Alexandria ALEXAlex-ID: agm005508832 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2279_spg2
CdP2 P CdCl2
2023-04-25 13:44:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508832).
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
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# CIF generated by HEAS from Alexandria entry agm005508832
data_agm005508832
_cell_length_a 5.79368
_cell_length_b 8.19146
_cell_length_c 7.86712
_cell_angle_alpha 113.05801
_cell_angle_beta 79.41857
_cell_angle_gamma 95.13520
_cell_volume 337.62917
_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
P1 P 0.32596 0.83774 0.04565 1.00000
P2 P 0.67404 0.16226 0.95435 1.00000
P3 P 0.69724 0.07265 0.39181 1.00000
P4 P 0.30276 0.92735 0.60819 1.00000
P5 P 0.39546 0.19691 0.61091 1.00000
P6 P 0.60454 0.80309 0.38909 1.00000
P7 P 0.64899 0.97956 0.09324 1.00000
P8 P 0.35101 0.02044 0.90676 1.00000
Cl1 Cl 0.15579 0.45551 0.26770 1.00000
Cl2 Cl 0.84421 0.54449 0.73230 1.00000
Cd1 Cd 0.92239 0.72762 0.53109 1.00000
Cd2 Cd 0.07761 0.27238 0.46891 1.00000
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