Y4Ir2Pb
Alexandria ALEXAlex-ID: agm003458367 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_191_spg122
Y4Ir3 Y5IrPb3 Y5Ir3
2022-02-20 05:37:06.985015
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458367).
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 agm003458367
data_agm003458367
_cell_length_a 8.03673
_cell_length_b 8.03680
_cell_length_c 8.04760
_cell_angle_alpha 109.53423
_cell_angle_beta 109.52757
_cell_angle_gamma 109.30389
_cell_volume 400.37078
_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 0.91110 0.22979 0.31974 1.00000
Y2 Y 0.33921 0.52027 0.18053 1.00000
Y3 Y 0.91006 0.59138 0.68032 1.00000
Y4 Y 0.77018 0.08920 0.68056 1.00000
Y5 Y 0.40864 0.08963 0.31937 1.00000
Y6 Y 0.33972 0.15867 0.81940 1.00000
Y7 Y 0.47974 0.66101 0.81972 1.00000
Y8 Y 0.84133 0.66004 0.18035 1.00000
Ir1 Ir 0.62488 0.37502 0.74984 1.00000
Ir2 Ir 0.62518 0.87503 0.25016 1.00000
Ir3 Ir 0.62498 0.37483 0.24986 1.00000
Ir4 Ir 0.12495 0.37512 0.75013 1.00000
Pb1 Pb 0.24990 0.74984 0.50001 1.00000
Pb2 Pb 0.00010 0.00017 1.00000 1.00000
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