Ba2H6Rh2Pb
Alexandria ALEXAlex-ID: agm006608928 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_28_spg2
Ba(Rh2Pb3)2 Ba3(H6Rh)2 Ba2H6Rh Rh
2024-02-28 17:13:02.333893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006608928).
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 agm006608928
data_agm006608928
_cell_length_a 5.20633
_cell_length_b 5.40636
_cell_length_c 7.08689
_cell_angle_alpha 101.38560
_cell_angle_beta 107.78873
_cell_angle_gamma 106.18263
_cell_volume 173.48767
_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
Ba1 Ba 0.49003 0.75939 0.22772 1.00000
Ba2 Ba 0.50997 0.24061 0.77228 1.00000
H1 H 0.88350 0.05823 0.61501 1.00000
H2 H 0.10941 0.21866 0.98890 1.00000
H3 H 0.54109 0.70176 0.63170 1.00000
H4 H 0.89059 0.78134 0.01110 1.00000
H5 H 0.45891 0.29824 0.36830 1.00000
H6 H 0.11650 0.94177 0.38499 1.00000
Rh1 Rh 0.88112 0.88715 0.78789 1.00000
Rh2 Rh 0.11888 0.11285 0.21211 1.00000
Pb1 Pb 0.00000 0.50000 0.50000 1.00000
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