La4HIr2Pb
Alexandria ALEXAlex-ID: agm006972180 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_340_spg63
La3IrPb LaIr La2H2Pb
2024-05-04 05:48:00.581586
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006972180).
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 agm006972180
data_agm006972180
_cell_length_a 7.34999
_cell_length_b 7.34999
_cell_length_c 14.48902
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 146.11319
_cell_volume 436.41530
_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 0.23349 0.76651 0.61030 1.00000
La2 La 0.76651 0.23349 0.11030 1.00000
La3 La 0.76651 0.23349 0.38970 1.00000
La4 La 0.23349 0.76651 0.88970 1.00000
La5 La 0.50000 0.50000 0.00000 1.00000
La6 La 0.50000 0.50000 0.50000 1.00000
La7 La 0.08086 0.91914 0.25000 1.00000
La8 La 0.91914 0.08086 0.75000 1.00000
H1 H 0.66445 0.33555 0.25000 1.00000
H2 H 0.33555 0.66445 0.75000 1.00000
Ir1 Ir 0.12912 0.87088 0.06068 1.00000
Ir2 Ir 0.87088 0.12912 0.56068 1.00000
Ir3 Ir 0.87088 0.12912 0.93932 1.00000
Ir4 Ir 0.12912 0.87088 0.43932 1.00000
Pb1 Pb 0.39167 0.60833 0.25000 1.00000
Pb2 Pb 0.60833 0.39167 0.75000 1.00000
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