Cr2H3Rh
Alexandria ALEXAlex-ID: agm007649893 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5842_spg2
CrHRh H8Rh3 CrH
2024-03-05 09:50:10.699195
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007649893).
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 agm007649893
data_agm007649893
_cell_length_a 2.65647
_cell_length_b 4.70767
_cell_length_c 8.56759
_cell_angle_alpha 86.14479
_cell_angle_beta 83.18823
_cell_angle_gamma 82.76790
_cell_volume 105.39309
_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 0.85820 0.36230 0.60212 1.00000
Cr2 Cr 0.14180 0.63770 0.39788 1.00000
Cr3 Cr 0.67099 0.13851 0.38446 1.00000
Cr4 Cr 0.32901 0.86149 0.61554 1.00000
H1 H 0.22321 0.87843 0.84106 1.00000
H2 H 0.77679 0.12157 0.15894 1.00000
H3 H 0.66423 0.81300 0.29243 1.00000
H4 H 0.33577 0.18700 0.70757 1.00000
H5 H 0.31385 0.38042 0.91126 1.00000
H6 H 0.68615 0.61958 0.08874 1.00000
Rh1 Rh 0.76792 0.63083 0.86428 1.00000
Rh2 Rh 0.23208 0.36917 0.13572 1.00000
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