Ce4Tl3Hg4
Alexandria ALEXAlex-ID: agm005705345 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_146_spg12
CeTlHg CeTl CeHg2
2023-06-29 23:20:28.368765
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705345).
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 agm005705345
data_agm005705345
_cell_length_a 3.94057
_cell_length_b 8.20491
_cell_length_c 11.10259
_cell_angle_alpha 111.68460
_cell_angle_beta 100.22196
_cell_angle_gamma 90.00000
_cell_volume 327.42630
_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
Ce1 Ce 0.74818 0.24818 0.49636 1.00000
Ce2 Ce 0.25182 0.75182 0.50364 1.00000
Ce3 Ce 0.50000 0.83420 1.00000 1.00000
Ce4 Ce 0.50000 0.16580 0.00000 1.00000
Tl1 Tl 0.88317 0.88317 0.76634 1.00000
Tl2 Tl 0.11683 0.11683 0.23366 1.00000
Tl3 Tl 0.00000 0.50000 0.00000 1.00000
Hg1 Hg 0.65089 0.46257 0.30179 1.00000
Hg2 Hg 0.34911 0.16077 0.69821 1.00000
Hg3 Hg 0.34911 0.53743 0.69821 1.00000
Hg4 Hg 0.65089 0.83923 0.30179 1.00000
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