Cr(Ni3Rh4)2
Alexandria ALEXAlex-ID: agm072398643 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_66_spg148
CrRh5 Rh Ni
2024-10-05 22:14:43.136921
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072398643).
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 agm072398643
data_agm072398643
_cell_length_a 4.57929
_cell_length_b 5.91920
_cell_length_c 7.81751
_cell_angle_alpha 93.83022
_cell_angle_beta 106.39421
_cell_angle_gamma 105.02744
_cell_volume 194.07868
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Ni1 Ni 0.40018 0.39872 0.20460 1.00000
Ni2 Ni 0.26950 0.59483 0.46679 1.00000
Ni3 Ni 0.20585 0.20818 0.59846 1.00000
Ni4 Ni 0.59982 0.60128 0.79540 1.00000
Ni5 Ni 0.73050 0.40517 0.53321 1.00000
Ni6 Ni 0.79415 0.79182 0.40154 1.00000
Rh1 Rh 0.87277 0.19947 0.27381 1.00000
Rh2 Rh 0.12723 0.80053 0.72619 1.00000
Rh3 Rh 0.06859 0.40138 0.86328 1.00000
Rh4 Rh 0.32845 0.99986 0.33387 1.00000
Rh5 Rh 0.47095 0.79892 0.06711 1.00000
Rh6 Rh 0.93141 0.59862 0.13672 1.00000
Rh7 Rh 0.67155 0.00014 0.66613 1.00000
Rh8 Rh 0.52905 0.20108 0.93289 1.00000
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