Nd8Ir3RhCl4
Alexandria ALEXAlex-ID: agm004735652 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_70_spg166
Nd5Rh4 Nd3IrCl3 Nd5Ir3 NdRh
2022-07-05 08:07:30.536112
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004735652).
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 agm004735652
data_agm004735652
_cell_length_a 8.25496
_cell_length_b 8.93648
_cell_length_c 8.25193
_cell_angle_alpha 117.57355
_cell_angle_beta 120.01212
_cell_angle_gamma 90.00000
_cell_volume 445.48982
_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
Nd1 Nd 0.23529 0.70349 0.96901 1.00000
Nd2 Nd 0.23531 0.70350 0.47062 1.00000
Nd3 Nd 0.26526 0.29658 0.53051 1.00000
Nd4 Nd 0.73372 0.70349 0.96901 1.00000
Nd5 Nd 0.26628 0.29651 0.03099 1.00000
Nd6 Nd 0.73474 0.70342 0.46949 1.00000
Nd7 Nd 0.76469 0.29650 0.52938 1.00000
Nd8 Nd 0.76471 0.29651 0.03099 1.00000
Ir1 Ir 0.50000 0.50000 0.00000 1.00000
Ir2 Ir 0.50000 0.50000 0.50000 1.00000
Ir3 Ir 0.00000 0.50000 0.50000 1.00000
Rh1 Rh 0.00000 0.50000 0.00000 1.00000
Cl1 Cl 0.50000 0.00000 0.00000 1.00000
Cl2 Cl 0.50000 0.00000 0.50000 1.00000
Cl3 Cl 0.00000 0.00000 0.00000 1.00000
Cl4 Cl 0.00000 0.00000 0.50000 1.00000
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