Ca6Tl8Pb
Alexandria ALEXAlex-ID: agm006043397 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_179_spg148
CaTl3 Ca6Tl5Pb Ca3TlPb2
2023-08-31 01:22:37.298059
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006043397).
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 agm006043397
data_agm006043397
_cell_length_a 8.43042
_cell_length_b 8.43042
_cell_length_c 8.43042
_cell_angle_alpha 65.89259
_cell_angle_beta 65.89257
_cell_angle_gamma 65.89256
_cell_volume 477.75480
_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 0.11694 0.38493 0.67499 1.00000
Ca2 Ca 0.32501 0.88306 0.61507 1.00000
Ca3 Ca 0.61507 0.32501 0.88306 1.00000
Ca4 Ca 0.38493 0.67499 0.11694 1.00000
Ca5 Ca 0.67499 0.11694 0.38493 1.00000
Ca6 Ca 0.88306 0.61507 0.32501 1.00000
Tl1 Tl 0.17399 0.56156 0.92088 1.00000
Tl2 Tl 0.07912 0.82601 0.43844 1.00000
Tl3 Tl 0.43844 0.07912 0.82601 1.00000
Tl4 Tl 0.71404 0.71404 0.71404 1.00000
Tl5 Tl 0.28596 0.28596 0.28596 1.00000
Tl6 Tl 0.56156 0.92088 0.17399 1.00000
Tl7 Tl 0.92088 0.17399 0.56156 1.00000
Tl8 Tl 0.82601 0.43844 0.07912 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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