Ca4Ag2Pb
Alexandria ALEXAlex-ID: agm006010751 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_118_spg166
Ca2Pb CaAg
2023-09-03 10:23:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010751).
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 agm006010751
data_agm006010751
_cell_length_a 5.30507
_cell_length_b 5.30507
_cell_length_c 9.12744
_cell_angle_alpha 73.10546
_cell_angle_beta 73.10546
_cell_angle_gamma 59.99998
_cell_volume 209.56510
_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
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Ca1 Ca 0.87220 0.87220 0.38339 1.00000
Ca2 Ca 0.12780 0.12780 0.61661 1.00000
Ca3 Ca 0.61943 0.61943 0.14170 1.00000
Ca4 Ca 0.38057 0.38057 0.85830 1.00000
Ag1 Ag 0.75001 0.75001 0.74998 1.00000
Ag2 Ag 0.24999 0.24999 0.25002 1.00000
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