Ho3PRu5
Alexandria ALEXAlex-ID: agm072701902 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1211_spg8
HoP Ru HoRu2
2024-09-24 17:47:21.672670
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072701902).
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 agm072701902
data_agm072701902
_cell_length_a 5.51674
_cell_length_b 5.51674
_cell_length_c 9.13178
_cell_angle_alpha 59.20414
_cell_angle_beta 59.20414
_cell_angle_gamma 45.26053
_cell_volume 164.25725
_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
Ho1 Ho 0.90264 0.90264 0.47822 1.00000
Ho2 Ho 0.34657 0.34657 0.20578 1.00000
Ho3 Ho 0.36439 0.36439 0.79249 1.00000
P1 P 0.99330 0.99330 0.91294 1.00000
Ru1 Ru 0.61942 0.61942 0.85707 1.00000
Ru2 Ru 0.08146 0.08146 0.10171 1.00000
Ru3 Ru 0.12981 0.12981 0.61021 1.00000
Ru4 Ru 0.63278 0.63278 0.43675 1.00000
Ru5 Ru 0.70473 0.70473 0.12343 1.00000
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