Ca2Cd6Pb
Alexandria ALEXAlex-ID: agm005604904 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_670_spg12
CaCd3 CaCd6 CaCdPb
2023-07-06 12:33:59.155276
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604904).
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 agm005604904
data_agm005604904
_cell_length_a 6.15752
_cell_length_b 6.15592
_cell_length_c 6.15592
_cell_angle_alpha 92.37012
_cell_angle_beta 92.38396
_cell_angle_gamma 92.38396
_cell_volume 232.72088
_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 0.67415 0.67419 0.67419 1.00000
Ca2 Ca 0.32585 0.32581 0.32581 1.00000
Cd1 Cd 0.16910 0.49994 0.83087 1.00000
Cd2 Cd 0.83090 0.16913 0.50006 1.00000
Cd3 Cd 0.83090 0.50006 0.16913 1.00000
Cd4 Cd 0.50000 0.16916 0.83084 1.00000
Cd5 Cd 0.16910 0.83087 0.49994 1.00000
Cd6 Cd 0.50000 0.83084 0.16916 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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