La6HgIr2
Alexandria ALEXAlex-ID: agm097350342 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6236_spg6
La15Hg2Ir5 La5Hg2Ir La4HgIr2
2025-04-07 01:42:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097350342).
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 agm097350342
data_agm097350342
_cell_length_a 4.13459
_cell_length_b 5.61086
_cell_length_c 12.31347
_cell_angle_alpha 89.70632
_cell_angle_beta 83.42124
_cell_angle_gamma 89.91892
_cell_volume 283.77049
_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 0.25055 0.93984 0.03214 1.00000
La2 La 0.72596 0.44677 0.55113 1.00000
La3 La 0.58939 0.94999 0.35135 1.00000
La4 La 0.37067 0.94494 0.68793 1.00000
La5 La 0.14927 0.45149 0.30181 1.00000
La6 La 0.87263 0.44350 0.84881 1.00000
Hg1 Hg 0.71464 0.43410 0.10905 1.00000
Ir1 Ir 0.81142 0.94312 0.86567 1.00000
Ir2 Ir 0.01547 0.94625 0.50212 1.00000
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