Nd4IrRh2
Alexandria ALEXAlex-ID: agm003459751 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_906_spg74
Nd5Rh4 Nd5Ir3 NdRh
2022-02-19 00:57:08.184557
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003459751).
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 agm003459751
data_agm003459751
_cell_length_a 7.96041
_cell_length_b 7.96052
_cell_length_c 7.96123
_cell_angle_alpha 114.99290
_cell_angle_beta 107.38045
_cell_angle_gamma 106.18328
_cell_volume 385.60911
_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 0.92401 0.21299 0.28888 1.00000
Nd2 Nd 0.32588 0.53704 0.21097 1.00000
Nd3 Nd 0.92411 0.63512 0.71111 1.00000
Nd4 Nd 0.78732 0.08825 0.69877 1.00000
Nd5 Nd 0.38950 0.08858 0.30125 1.00000
Nd6 Nd 0.32606 0.11490 0.78902 1.00000
Nd7 Nd 0.46263 0.66153 0.80108 1.00000
Nd8 Nd 0.86045 0.66156 0.19894 1.00000
Ir1 Ir 0.17001 0.67000 0.50000 1.00000
Ir2 Ir 0.08004 0.08004 1.00000 1.00000
Rh1 Rh 0.62511 0.37501 0.75008 1.00000
Rh2 Rh 0.62494 0.87505 0.24994 1.00000
Rh3 Rh 0.62497 0.37508 0.25011 1.00000
Rh4 Rh 0.12497 0.37484 0.74987 1.00000
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