Nd5Hg2IrRh2
Alexandria ALEXAlex-ID: agm005142979 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_49_spg127
Nd11Hg9Rh4 Nd5Ir3 Nd2HgIr NdRh
2022-07-15 02:50:43.959489
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005142979).
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 agm005142979
data_agm005142979
_cell_length_a 3.70742
_cell_length_b 11.80946
_cell_length_c 11.80946
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 517.04867
_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 0.50000 0.19052 0.08002 1.00000
Nd2 Nd 0.50000 0.80948 0.91998 1.00000
Nd3 Nd 0.50000 0.08002 0.80948 1.00000
Nd4 Nd 0.50000 0.69052 0.41998 1.00000
Nd5 Nd 0.50000 0.91998 0.19052 1.00000
Nd6 Nd 0.50000 0.30948 0.58002 1.00000
Nd7 Nd 0.50000 0.58002 0.69052 1.00000
Nd8 Nd 0.50000 0.41998 0.30948 1.00000
Nd9 Nd 0.50000 0.50000 0.00000 1.00000
Nd10 Nd 0.50000 0.00000 0.50000 1.00000
Hg1 Hg 0.00000 0.67404 0.17404 1.00000
Hg2 Hg 0.00000 0.32596 0.82596 1.00000
Hg3 Hg 0.00000 0.17404 0.32596 1.00000
Hg4 Hg 0.00000 0.82596 0.67404 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.00000 0.50000 0.50000 1.00000
Rh1 Rh 0.00000 0.13337 0.63337 1.00000
Rh2 Rh 0.00000 0.86663 0.36663 1.00000
Rh3 Rh 0.00000 0.63337 0.86663 1.00000
Rh4 Rh 0.00000 0.36663 0.13337 1.00000
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