Ca4Tl3Pb4
Alexandria ALEXAlex-ID: agm005709096 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_141_spg12
Ca3TlPb2 Ca2TlPb5 CaTl2Pb
2023-07-02 03:48:36.533747
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709096).
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 agm005709096
data_agm005709096
_cell_length_a 3.75863
_cell_length_b 4.93550
_cell_length_c 19.24308
_cell_angle_alpha 82.95334
_cell_angle_beta 75.71173
_cell_angle_gamma 89.97688
_cell_volume 343.15236
_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 0.63763 0.55150 0.89753 1.00000
Ca2 Ca 0.36234 0.44847 0.10247 1.00000
Ca3 Ca 0.11972 0.82484 0.35394 1.00000
Ca4 Ca 0.88025 0.17514 0.64606 1.00000
Tl1 Tl 0.22132 0.63972 0.71715 1.00000
Tl2 Tl 0.77866 0.36026 0.28285 1.00000
Tl3 Tl 0.99999 0.99999 1.00000 1.00000
Pb1 Pb 0.26571 0.09101 0.81728 1.00000
Pb2 Pb 0.34163 0.26884 0.46253 1.00000
Pb3 Pb 0.65834 0.73114 0.53748 1.00000
Pb4 Pb 0.73426 0.90896 0.18272 1.00000
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