Ho5BiHPt2
Alexandria ALEXAlex-ID: agm073029977 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_389_spg140
Ho5BiHPt2
2024-10-29 01:12:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073029977).
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 agm073029977
data_agm073029977
_cell_length_a 8.95027
_cell_length_b 8.95027
_cell_length_c 8.95027
_cell_angle_alpha 129.45203
_cell_angle_beta 129.45203
_cell_angle_gamma 74.28431
_cell_volume 416.72697
_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 0.70963 0.51872 0.50000 1.00000
Ho2 Ho 0.29037 0.48128 0.50000 1.00000
Ho3 Ho 0.51872 0.01872 0.80909 1.00000
Ho4 Ho 0.48128 0.98128 0.19091 1.00000
Ho5 Ho 0.01872 0.20963 0.50000 1.00000
Ho6 Ho 0.98128 0.79037 0.50000 1.00000
Ho7 Ho 0.20963 0.70963 0.19091 1.00000
Ho8 Ho 0.79037 0.29037 0.80909 1.00000
Ho9 Ho 0.00000 0.00000 0.00000 1.00000
Ho10 Ho 0.50000 0.50000 0.00000 1.00000
Bi1 Bi 0.25000 0.25000 0.00000 1.00000
Bi2 Bi 0.75000 0.75000 0.00000 1.00000
H1 H 0.75000 0.25000 0.50000 1.00000
H2 H 0.25000 0.75000 0.50000 1.00000
Pt1 Pt 0.35882 0.14118 0.50000 1.00000
Pt2 Pt 0.64118 0.85882 0.50000 1.00000
Pt3 Pt 0.14118 0.64118 0.78235 1.00000
Pt4 Pt 0.85882 0.35882 0.21765 1.00000
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