La8TlRu2
Alexandria ALEXAlex-ID: agm006014243 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_432_spg12
La4TlRu La4Ru
2023-09-29 21:24:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014243).
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 agm006014243
data_agm006014243
_cell_length_a 5.69180
_cell_length_b 8.38585
_cell_length_c 8.38585
_cell_angle_alpha 116.61396
_cell_angle_beta 97.00246
_cell_angle_gamma 97.00247
_cell_volume 348.08336
_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
La1 La 0.55118 0.33598 0.08368 1.00000
La2 La 0.55118 0.08368 0.33598 1.00000
La3 La 0.20324 0.40725 0.40725 1.00000
La4 La 0.00008 0.25215 0.75303 1.00000
La5 La 0.00008 0.75303 0.25215 1.00000
La6 La 0.79629 0.59860 0.59860 1.00000
La7 La 0.44856 0.92264 0.67059 1.00000
La8 La 0.44856 0.67059 0.92264 1.00000
Tl1 Tl 0.99998 0.00297 0.00297 1.00000
Ru1 Ru 0.50026 0.71595 0.29109 1.00000
Ru2 Ru 0.50026 0.29109 0.71595 1.00000
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