Ho2Pa5H2
Alexandria ALEXAlex-ID: agm006388372 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1127_spg2
Ho Pa HoH2
2024-05-29 05:30:31.459507
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006388372).
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 agm006388372
data_agm006388372
_cell_length_a 5.65871
_cell_length_b 5.65871
_cell_length_c 6.47286
_cell_angle_alpha 84.77658
_cell_angle_beta 84.77658
_cell_angle_gamma 68.84612
_cell_volume 192.11985
_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 0.83613 0.83613 0.18088 1.00000
Ho2 Ho 0.16387 0.16387 0.81912 1.00000
Pa1 Pa 0.50000 0.50000 0.00000 1.00000
Pa2 Pa 0.27424 0.72576 0.50000 1.00000
Pa3 Pa 0.72576 0.27424 0.50000 1.00000
Pa4 Pa 0.22748 0.22748 0.29983 1.00000
Pa5 Pa 0.77252 0.77252 0.70017 1.00000
H1 H 0.00000 0.50000 0.00000 1.00000
H2 H 0.50000 0.00000 0.00000 1.00000
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