Cd7(As2Cl3)2
Alexandria ALEXAlex-ID: agm016322154 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B6C7_8_spg14
Cd7(As2Cl3)2
2024-12-17 00:47:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016322154).
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 agm016322154
data_agm016322154
_cell_length_a 6.36858
_cell_length_b 7.75767
_cell_length_c 20.40077
_cell_angle_alpha 90.00196
_cell_angle_beta 90.00328
_cell_angle_gamma 104.11119
_cell_volume 977.49333
_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 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.00000 0.50000 0.50000 1.00000
Cd3 Cd 0.50976 0.95924 0.87621 1.00000
Cd4 Cd 0.49016 0.54082 0.37618 1.00000
Cd5 Cd 0.49024 0.04076 0.12379 1.00000
Cd6 Cd 0.50984 0.45918 0.62382 1.00000
Cd7 Cd 0.08789 0.23629 0.78512 1.00000
Cd8 Cd 0.91204 0.26372 0.28512 1.00000
Cd9 Cd 0.91211 0.76371 0.21488 1.00000
Cd10 Cd 0.08796 0.73628 0.71488 1.00000
Cd11 Cd 0.79645 0.47507 0.90539 1.00000
Cd12 Cd 0.20340 0.02500 0.40538 1.00000
Cd13 Cd 0.20355 0.52493 0.09461 1.00000
Cd14 Cd 0.79660 0.97500 0.59462 1.00000
As1 As 0.83591 0.81625 0.89917 1.00000
As2 As 0.16401 0.68378 0.39918 1.00000
As3 As 0.16409 0.18375 0.10083 1.00000
As4 As 0.83599 0.31622 0.60082 1.00000
As5 As 0.13373 0.92720 0.82163 1.00000
As6 As 0.86619 0.57282 0.32162 1.00000
As7 As 0.86627 0.07280 0.17837 1.00000
As8 As 0.13381 0.42718 0.67838 1.00000
Cl1 Cl 0.62102 0.21178 0.97710 1.00000
Cl2 Cl 0.37885 0.28832 0.47708 1.00000
Cl3 Cl 0.37898 0.78822 0.02290 1.00000
Cl4 Cl 0.62115 0.71168 0.52292 1.00000
Cl5 Cl 0.66711 0.27234 0.80141 1.00000
Cl6 Cl 0.33281 0.22769 0.30139 1.00000
Cl7 Cl 0.33289 0.72766 0.19859 1.00000
Cl8 Cl 0.66719 0.77231 0.69861 1.00000
Cl9 Cl 0.18254 0.42294 0.89490 1.00000
Cl10 Cl 0.81740 0.07721 0.39492 1.00000
Cl11 Cl 0.81746 0.57706 0.10510 1.00000
Cl12 Cl 0.18260 0.92279 0.60508 1.00000
