Ca5Cd2Pb5
Alexandria ALEXAlex-ID: agm005651333 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_123_spg71
CaCdPb CaPb
2023-06-18 22:18:03.277874
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651333).
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 agm005651333
data_agm005651333
_cell_length_a 4.96494
_cell_length_b 8.88764
_cell_length_c 9.17004
_cell_angle_alpha 71.74765
_cell_angle_beta 74.29315
_cell_angle_gamma 73.78054
_cell_volume 361.46308
_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
Ca1 Ca 0.50000 0.50000 0.50000 1.00000
Ca2 Ca 0.38336 0.30599 0.92730 1.00000
Ca3 Ca 0.33234 0.99622 0.33910 1.00000
Ca4 Ca 0.66766 0.00378 0.66090 1.00000
Ca5 Ca 0.61664 0.69401 0.07270 1.00000
Cd1 Cd 0.84845 0.56878 0.73431 1.00000
Cd2 Cd 0.15155 0.43122 0.26569 1.00000
Pb1 Pb 0.95138 0.74793 0.34931 1.00000
Pb2 Pb 0.24069 0.74410 0.77451 1.00000
Pb3 Pb 0.75931 0.25590 0.22549 1.00000
Pb4 Pb 0.04862 0.25207 0.65069 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
Get direct link