HoPaSb2
Alexandria ALEXAlex-ID: agm005667966 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9452_spg2
Pa3Sb Pa3Sb4 HoSb
2023-07-13 10:39:27.928798
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667966).
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 agm005667966
data_agm005667966
_cell_length_a 7.58170
_cell_length_b 7.55408
_cell_length_c 9.76580
_cell_angle_alpha 104.92387
_cell_angle_beta 105.03551
_cell_angle_gamma 109.44554
_cell_volume 471.64051
_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 0.18782 0.93782 0.87565 1.00000
Ho2 Ho 0.93721 0.68721 0.37442 1.00000
Ho3 Ho 0.06279 0.31279 0.62558 1.00000
Ho4 Ho 0.81218 0.06218 0.12435 1.00000
Pa1 Pa 0.56215 0.81215 0.62430 1.00000
Pa2 Pa 0.68701 0.43701 0.87402 1.00000
Pa3 Pa 0.31299 0.56299 0.12598 1.00000
Pa4 Pa 0.43785 0.18785 0.37570 1.00000
Sb1 Sb 0.18403 0.43540 0.37493 1.00000
Sb2 Sb 0.56333 0.31202 0.12479 1.00000
Sb3 Sb 0.06146 0.81277 0.12479 1.00000
Sb4 Sb 0.30910 0.06047 0.62507 1.00000
Sb5 Sb 0.69090 0.93953 0.37493 1.00000
Sb6 Sb 0.93854 0.18723 0.87521 1.00000
Sb7 Sb 0.43667 0.68798 0.87521 1.00000
Sb8 Sb 0.81597 0.56460 0.62507 1.00000
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