PaCo2H7Rh2
Alexandria ALEXAlex-ID: agm006709641 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_10_spg44
Pa(CoH3)2 CoH PaHRh3 H8Rh3
2024-07-09 21:07:24.745646
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006709641).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006709641
data_agm006709641
_cell_length_a 7.16093
_cell_length_b 7.16093
_cell_length_c 7.16093
_cell_angle_alpha 148.89624
_cell_angle_beta 148.85824
_cell_angle_gamma 44.59205
_cell_volume 97.80643
_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
Pa1 Pa 0.50000 0.00000 0.50000 1.00000
Co1 Co 0.11160 0.61160 0.50000 1.00000
Co2 Co 0.88840 0.38840 0.50000 1.00000
H1 H 0.61185 0.61185 0.00000 1.00000
H2 H 0.74838 0.24838 0.50000 1.00000
H3 H 0.88811 0.88811 0.00000 1.00000
H4 H 0.38815 0.38815 0.00000 1.00000
H5 H 0.25162 0.75162 0.50000 1.00000
H6 H 0.11189 0.11189 0.00000 1.00000
H7 H 0.00000 0.50000 0.50000 1.00000
Rh1 Rh 0.74989 0.74989 0.00000 1.00000
Rh2 Rh 0.25011 0.25011 0.00000 1.00000
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