Ca4Mg2Pb5
Alexandria ALEXAlex-ID: agm005661272 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_660_spg72
CaPb3 CaMgPb CaPb
2023-06-22 02:25:12.470329
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661272).
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 agm005661272
data_agm005661272
_cell_length_a 6.53602
_cell_length_b 10.11442
_cell_length_c 11.64841
_cell_angle_alpha 115.73151
_cell_angle_beta 106.29328
_cell_angle_gamma 90.00002
_cell_volume 659.19428
_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 0.93976 0.19020 0.87952 1.00000
Ca2 Ca 0.06024 0.80980 0.12048 1.00000
Ca3 Ca 0.56024 0.31068 0.12048 1.00000
Ca4 Ca 0.43976 0.68932 0.87952 1.00000
Ca5 Ca 0.63810 0.02936 0.27621 1.00000
Ca6 Ca 0.36190 0.97064 0.72379 1.00000
Ca7 Ca 0.86190 0.75315 0.72379 1.00000
Ca8 Ca 0.13810 0.24685 0.27621 1.00000
Mg1 Mg 0.94940 0.69940 0.39880 1.00000
Mg2 Mg 0.55060 0.30060 0.60120 1.00000
Mg3 Mg 0.05060 0.30060 0.60120 1.00000
Mg4 Mg 0.44940 0.69940 0.39880 1.00000
Pb1 Pb 0.25000 0.00000 0.00000 1.00000
Pb2 Pb 0.75000 0.00000 0.00000 1.00000
Pb3 Pb 0.57377 0.64647 0.14753 1.00000
Pb4 Pb 0.42623 0.35353 0.85247 1.00000
Pb5 Pb 0.92623 0.49894 0.85247 1.00000
Pb6 Pb 0.07377 0.50106 0.14753 1.00000
Pb7 Pb 0.77756 0.98351 0.55512 1.00000
Pb8 Pb 0.22244 0.01649 0.44488 1.00000
Pb9 Pb 0.27756 0.57162 0.55512 1.00000
Pb10 Pb 0.72244 0.42838 0.44488 1.00000
