PmNdIr
Alexandria ALEXAlex-ID: agm005646883 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_230_spg8
Nd7Ir3 Pm5Ir2 Pm5Ir3
2023-06-17 21:50:02.498997
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646883).
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 agm005646883
data_agm005646883
_cell_length_a 3.94179
_cell_length_b 7.16282
_cell_length_c 7.77684
_cell_angle_alpha 119.25007
_cell_angle_beta 90.00000
_cell_angle_gamma 105.97134
_cell_volume 181.80130
_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 0.51449 0.02897 0.08762 1.00000
Pm2 Pm 0.16012 0.32023 0.57804 1.00000
Nd1 Nd 0.25180 0.50359 0.10138 1.00000
Nd2 Nd 0.91840 0.83681 0.60171 1.00000
Ir1 Ir 0.93659 0.87317 0.24662 1.00000
Ir2 Ir 0.59571 0.19143 0.79780 1.00000
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