Cs2MgCuCl5
Alexandria ALEXAlex-ID: agm005158253 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_219_spg36
Cs3MgCl5 Cs3Cu3Cl8 CsMgCl3 Cu
2023-01-25 18:50:08.717492
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005158253).
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 agm005158253
data_agm005158253
_cell_length_a 4.02828
_cell_length_b 10.32746
_cell_length_c 13.79596
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 101.24634
_cell_volume 562.91771
_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
Cs1 Cs 0.87234 0.74469 0.81181 1.00000
Cs2 Cs 0.12366 0.24732 0.69764 1.00000
Cs3 Cs 0.12766 0.25531 0.31181 1.00000
Cs4 Cs 0.87634 0.75268 0.19764 1.00000
Mg1 Mg 0.79295 0.58590 0.51501 1.00000
Mg2 Mg 0.20705 0.41410 0.01501 1.00000
Cu1 Cu 0.56602 0.13205 0.94093 1.00000
Cu2 Cu 0.43398 0.86795 0.44093 1.00000
Cl1 Cl 0.32678 0.65356 0.00542 1.00000
Cl2 Cl 0.69707 0.39414 0.88977 1.00000
Cl3 Cl 0.50801 0.01602 0.80347 1.00000
Cl4 Cl 0.29286 0.58572 0.63599 1.00000
Cl5 Cl 0.91802 0.83603 0.52393 1.00000
Cl6 Cl 0.67322 0.34644 0.50542 1.00000
Cl7 Cl 0.30293 0.60586 0.38977 1.00000
Cl8 Cl 0.49199 0.98398 0.30347 1.00000
Cl9 Cl 0.70714 0.41428 0.13599 1.00000
Cl10 Cl 0.08198 0.16397 0.02393 1.00000
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