Ho3P2Se
Alexandria ALEXAlex-ID: agm005646343 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
Ho3P2Se
2023-08-24 07:31:13.931045
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646343).
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 agm005646343
data_agm005646343
_cell_length_a 4.00828
_cell_length_b 4.00829
_cell_length_c 8.96371
_cell_angle_alpha 102.91539
_cell_angle_beta 102.91503
_cell_angle_gamma 90.01945
_cell_volume 136.62789
_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 0.93408 0.93588 0.87396 1.00000
Ho2 Ho 0.26225 0.26353 0.52986 1.00000
Ho3 Ho 0.60634 0.60762 0.21806 1.00000
P1 P 0.09873 0.10002 0.20282 1.00000
P2 P 0.76987 0.77117 0.54510 1.00000
Se1 Se 0.43408 0.43590 0.87396 1.00000
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