Ce2H6PtRh
Alexandria ALEXAlex-ID: agm007434099 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_378_spg139
CePt2 CeH3 CeH5Rh CeH4Rh
2024-03-05 18:59:56.698127
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007434099).
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 agm007434099
data_agm007434099
_cell_length_a 5.18261
_cell_length_b 5.42421
_cell_length_c 5.43119
_cell_angle_alpha 95.35000
_cell_angle_beta 118.34842
_cell_angle_gamma 118.30254
_cell_volume 107.85917
_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
Ce1 Ce 0.49959 0.25015 0.74966 1.00000
Ce2 Ce 0.49942 0.75008 0.24956 1.00000
H1 H 0.49504 0.24784 0.24721 1.00000
H2 H 0.99937 0.24871 0.24716 1.00000
H3 H 0.50396 0.75235 0.75198 1.00000
H4 H 0.99942 0.22185 0.77729 1.00000
H5 H 0.99964 0.75149 0.75204 1.00000
H6 H 0.99957 0.77832 0.22190 1.00000
Pt1 Pt 0.99950 0.50012 0.49962 1.00000
Rh1 Rh 0.99951 0.00011 0.99963 1.00000
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