Er4Ir3Rh
Alexandria ALEXAlex-ID: agm012775558 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_344_spg139
Er3Ir2Rh Er5Ir4Rh
2024-11-01 03:41:56.007068
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012775558).
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
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# CIF generated by HEAS from Alexandria entry agm012775558
data_agm012775558
_cell_length_a 7.59314
_cell_length_b 7.59314
_cell_length_c 7.59314
_cell_angle_alpha 143.11475
_cell_angle_beta 143.11475
_cell_angle_gamma 53.15313
_cell_volume 156.73839
_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
Er1 Er 0.37488 0.87488 0.50000 1.00000
Er2 Er 0.62512 0.12512 0.50000 1.00000
Er3 Er 0.12512 0.62512 0.50000 1.00000
Er4 Er 0.87488 0.37488 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.74929 0.74929 0.00000 1.00000
Ir3 Ir 0.25071 0.25071 0.00000 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
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