NiRhI
Alexandria ALEXAlex-ID: agm002113809 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2800_spg156
RhI3 Ni Rh
2021-11-11 19:08:00.722155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002113809).
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 agm002113809
data_agm002113809
_cell_length_a 8.72754
_cell_length_b 3.85580
_cell_length_c 7.71416
_cell_angle_alpha 90.00000
_cell_angle_beta 95.64717
_cell_angle_gamma 90.00000
_cell_volume 258.33463
_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
Ni1 Ni 0.93744 0.00000 0.45115 1.00000
Ni2 Ni 0.93744 0.50000 0.95115 1.00000
Ni3 Ni 0.73225 0.00000 0.04503 1.00000
Ni4 Ni 0.73225 0.50000 0.54503 1.00000
Rh1 Rh 0.81705 0.00000 0.74315 1.00000
Rh2 Rh 0.81705 0.50000 0.24315 1.00000
Rh3 Rh 0.63991 0.00000 0.34141 1.00000
Rh4 Rh 0.63991 0.50000 0.84141 1.00000
I1 I 0.05085 0.00000 0.15693 1.00000
I2 I 0.05085 0.50000 0.65693 1.00000
I3 I 0.43630 0.00000 0.86931 1.00000
I4 I 0.43630 0.50000 0.36931 1.00000
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