CrOs5Rh3
Alexandria ALEXAlex-ID: agm072437791 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1270_spg8
CrRh3 Os
2024-09-24 04:18:32.294842
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072437791).
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 agm072437791
data_agm072437791
_cell_length_a 4.68599
_cell_length_b 4.68836
_cell_length_c 6.04768
_cell_angle_alpha 75.31565
_cell_angle_beta 82.82151
_cell_angle_gamma 80.83495
_cell_volume 126.38575
_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 0.09490 0.01490 0.99135 1.00000
Os1 Os 0.77353 0.33772 0.66909 1.00000
Os2 Os 0.54210 0.23191 0.09691 1.00000
Os3 Os 0.66531 0.78556 0.88562 1.00000
Os4 Os 0.98724 0.44985 0.20623 1.00000
Os5 Os 0.21141 0.55726 0.78047 1.00000
Rh1 Rh 0.43231 0.67386 0.32094 1.00000
Rh2 Rh 0.87877 0.89848 0.43495 1.00000
Rh3 Rh 0.32066 0.12097 0.55554 1.00000
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