Ho4Tl3Cd2
Alexandria ALEXAlex-ID: agm005667209 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_138_spg12
HoTl HoCd2
2023-06-30 19:34:28.353471
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667209).
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
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# CIF generated by HEAS from Alexandria entry agm005667209
data_agm005667209
_cell_length_a 5.18702
_cell_length_b 5.18918
_cell_length_c 10.40121
_cell_angle_alpha 89.94567
_cell_angle_beta 90.00145
_cell_angle_gamma 60.01574
_cell_volume 242.49357
_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
Ho1 Ho 0.66647 0.66699 0.88966 1.00000
Ho2 Ho 0.00040 0.99932 0.32730 1.00000
Ho3 Ho 0.99960 0.00068 0.67270 1.00000
Ho4 Ho 0.33353 0.33301 0.11034 1.00000
Tl1 Tl 0.33360 0.33288 0.43813 1.00000
Tl2 Tl 0.00000 0.00000 0.00000 1.00000
Tl3 Tl 0.66640 0.66712 0.56187 1.00000
Cd1 Cd 0.33304 0.33376 0.79360 1.00000
Cd2 Cd 0.66696 0.66624 0.20640 1.00000
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