AlCo2H8Rh
Alexandria ALEXAlex-ID: agm007177650 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1614_spg2
CoH H2 AlRh
2024-03-16 01:46:50.699940
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007177650).
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 agm007177650
data_agm007177650
_cell_length_a 4.38073
_cell_length_b 4.54062
_cell_length_c 4.51303
_cell_angle_alpha 74.55960
_cell_angle_beta 75.98624
_cell_angle_gamma 65.23611
_cell_volume 77.69243
_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
Al1 Al 0.02261 0.00613 0.97871 1.00000
Co1 Co 0.71854 0.66668 0.93816 1.00000
Co2 Co 0.34994 0.29280 0.06240 1.00000
H1 H 0.66057 0.79192 0.58679 1.00000
H2 H 0.59583 0.44076 0.77691 1.00000
H3 H 0.12777 0.16237 0.41498 1.00000
H4 H 0.52911 0.05684 0.80537 1.00000
H5 H 0.57570 0.90817 0.22924 1.00000
H6 H 0.09539 0.44492 0.76795 1.00000
H7 H 0.99131 0.56512 0.18708 1.00000
H8 H 0.54728 0.41782 0.25332 1.00000
Rh1 Rh 0.28594 0.74647 0.49909 1.00000
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