Ho4P3Se
Alexandria ALEXAlex-ID: agm057326344 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_11_spg194
Ho4P3Se
2025-01-03 07:44:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm057326344).
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 agm057326344
data_agm057326344
_cell_length_a 3.99774
_cell_length_b 3.99774
_cell_length_c 26.45766
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 366.19337
_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 0.66667 0.33333 0.94069 1.00000
Ho2 Ho 0.33333 0.66667 0.05931 1.00000
Ho3 Ho 0.33333 0.66667 0.44069 1.00000
Ho4 Ho 0.66667 0.33333 0.55931 1.00000
Ho5 Ho 0.00000 0.00000 0.82193 1.00000
Ho6 Ho 0.00000 0.00000 0.17807 1.00000
Ho7 Ho 0.00000 0.00000 0.32193 1.00000
Ho8 Ho 0.00000 0.00000 0.67807 1.00000
P1 P 0.00000 0.00000 0.00000 1.00000
P2 P 0.00000 0.00000 0.50000 1.00000
P3 P 0.33333 0.66667 0.87726 1.00000
P4 P 0.66667 0.33333 0.12274 1.00000
P5 P 0.66667 0.33333 0.37726 1.00000
P6 P 0.33333 0.66667 0.62274 1.00000
Se1 Se 0.66667 0.33333 0.75000 1.00000
Se2 Se 0.33333 0.66667 0.25000 1.00000
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