YTlCd4
Alexandria ALEXAlex-ID: agm005885166 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1175_spg13
YTl3 Y11Cd45 Tl
2023-08-05 05:04:08.219583
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005885166).
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 agm005885166
data_agm005885166
_cell_length_a 5.06235
_cell_length_b 6.50906
_cell_length_c 9.57454
_cell_angle_alpha 69.52197
_cell_angle_beta 90.00003
_cell_angle_gamma 90.00011
_cell_volume 295.55509
_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
Y1 Y 0.75000 0.12371 0.25494 1.00000
Y2 Y 0.25000 0.87629 0.74506 1.00000
Tl1 Tl 0.75000 0.61973 0.26415 1.00000
Tl2 Tl 0.25000 0.38027 0.73585 1.00000
Cd1 Cd 0.25000 0.80555 0.41416 1.00000
Cd2 Cd 0.25000 0.96436 0.08005 1.00000
Cd3 Cd 0.75000 0.71821 0.58525 1.00000
Cd4 Cd 0.75000 0.54146 0.91855 1.00000
Cd5 Cd 0.75000 0.19445 0.58584 1.00000
Cd6 Cd 0.25000 0.28179 0.41475 1.00000
Cd7 Cd 0.75000 0.03564 0.91995 1.00000
Cd8 Cd 0.25000 0.45854 0.08145 1.00000
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