B2H7Rh2
Alexandria ALEXAlex-ID: agm006348115 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_1532_spg12
BH9 H8Rh3 BRh
2024-02-24 16:28:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006348115).
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 agm006348115
data_agm006348115
_cell_length_a 4.82455
_cell_length_b 5.37013
_cell_length_c 5.20159
_cell_angle_alpha 85.15720
_cell_angle_beta 123.26361
_cell_angle_gamma 113.91346
_cell_volume 101.32098
_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
B1 B 0.63477 0.58498 0.26807 1.00000
B2 B 0.36523 0.41502 0.73193 1.00000
H1 H 0.40572 0.67654 0.68952 1.00000
H2 H 0.17765 0.25021 0.48320 1.00000
H3 H 0.59428 0.32346 0.31048 1.00000
H4 H 0.82235 0.74979 0.51680 1.00000
H5 H 0.50000 0.00000 0.00000 1.00000
H6 H 0.08450 0.68925 0.14181 1.00000
H7 H 0.91550 0.31075 0.85819 1.00000
Rh1 Rh 0.77563 0.34850 0.09770 1.00000
Rh2 Rh 0.22437 0.65150 0.90230 1.00000
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