Pm4IrPb
Alexandria ALEXAlex-ID: agm003736626 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1218_spg15
Pm5IrPb2 Pm5Ir2 Pm5Pb3
2022-04-18 21:25:06.229265
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003736626).
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 agm003736626
data_agm003736626
_cell_length_a 6.23079
_cell_length_b 8.74272
_cell_length_c 8.71232
_cell_angle_alpha 117.44275
_cell_angle_beta 104.57868
_cell_angle_gamma 106.39028
_cell_volume 361.17870
_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
Pm1 Pm 0.03111 0.19618 0.85129 1.00000
Pm2 Pm 0.77297 0.68153 0.65450 1.00000
Pm3 Pm 0.31239 0.64177 0.86517 1.00000
Pm4 Pm 0.34706 0.90248 0.65259 1.00000
Pm5 Pm 0.65294 0.09752 0.34741 1.00000
Pm6 Pm 0.68761 0.35823 0.13483 1.00000
Pm7 Pm 0.22703 0.31847 0.34550 1.00000
Pm8 Pm 0.96889 0.80382 0.14871 1.00000
Ir1 Ir 0.24471 0.00048 0.00103 1.00000
Ir2 Ir 0.75529 0.99952 0.99897 1.00000
Pb1 Pb 0.42944 0.66326 0.26821 1.00000
Pb2 Pb 0.57056 0.33674 0.73179 1.00000
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