ScCo2H8Rh
Alexandria ALEXAlex-ID: agm007713751 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_196_spg2
CoH ScH6Rh
2024-03-05 23:57:43.625010
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007713751).
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 agm007713751
data_agm007713751
_cell_length_a 4.08621
_cell_length_b 4.63368
_cell_length_c 5.06471
_cell_angle_alpha 83.57914
_cell_angle_beta 112.96347
_cell_angle_gamma 105.47111
_cell_volume 85.09386
_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
Sc1 Sc 0.50000 0.00000 0.50000 1.00000
Co1 Co 0.85670 0.44310 0.21459 1.00000
Co2 Co 0.14330 0.55690 0.78541 1.00000
H1 H 0.10072 0.89708 0.71423 1.00000
H2 H 0.39418 0.30203 0.03073 1.00000
H3 H 0.80850 0.32481 0.88558 1.00000
H4 H 0.89928 0.10292 0.28577 1.00000
H5 H 0.60582 0.69797 0.96927 1.00000
H6 H 0.19150 0.67519 0.11442 1.00000
H7 H 0.75398 0.49405 0.48305 1.00000
H8 H 0.24602 0.50595 0.51695 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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