Cs3Mg3Pb8
Alexandria ALEXAlex-ID: agm005688718 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Cs3Mg18Pb11 Cs4Pb9 MgPb
2023-07-01 01:30:30.045196
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688718).
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 agm005688718
data_agm005688718
_cell_length_a 4.86868
_cell_length_b 10.47558
_cell_length_c 12.04124
_cell_angle_alpha 63.67460
_cell_angle_beta 78.33631
_cell_angle_gamma 76.56262
_cell_volume 531.89853
_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 0.28797 0.74908 0.67497 1.00000
Cs2 Cs 0.71203 0.25092 0.32503 1.00000
Cs3 Cs 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.00000 0.50000 0.50000 1.00000
Mg2 Mg 0.65641 0.71795 0.96923 1.00000
Mg3 Mg 0.34359 0.28205 0.03077 1.00000
Pb1 Pb 0.11253 0.18358 0.59136 1.00000
Pb2 Pb 0.88747 0.81642 0.40864 1.00000
Pb3 Pb 0.81810 0.45474 0.90905 1.00000
Pb4 Pb 0.18190 0.54526 0.09095 1.00000
Pb5 Pb 0.53052 0.66380 0.27516 1.00000
Pb6 Pb 0.46948 0.33620 0.72484 1.00000
Pb7 Pb 0.38510 0.97901 0.25078 1.00000
Pb8 Pb 0.61490 0.02099 0.74922 1.00000
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