La8BiIr4
Alexandria ALEXAlex-ID: agm097305737 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_640_spg1
La3BiIr La5Ir3
2025-06-16 08:52:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097305737).
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 agm097305737
data_agm097305737
_cell_length_a 4.45393
_cell_length_b 9.65724
_cell_length_c 10.54867
_cell_angle_alpha 61.89386
_cell_angle_beta 89.99888
_cell_angle_gamma 89.99842
_cell_volume 400.22170
_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 0.26918 0.22735 0.25286 1.00000
La2 La 0.26919 0.68249 0.05055 1.00000
La3 La 0.26931 0.56631 0.63091 1.00000
La4 La 0.26923 0.10909 0.70975 1.00000
La5 La 0.76921 0.87479 0.34410 1.00000
La6 La 0.76920 0.45923 0.38554 1.00000
La7 La 0.76922 0.30023 0.92695 1.00000
La8 La 0.76925 0.79772 0.73598 1.00000
Bi1 Bi 0.26925 0.01671 0.06910 1.00000
Ir1 Ir 0.76926 0.96078 0.89973 1.00000
Ir2 Ir 0.76921 0.44119 0.11647 1.00000
Ir3 Ir 0.26921 0.66428 0.34059 1.00000
Ir4 Ir 0.26927 0.89984 0.53747 1.00000
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