Ho5ZnSb2
Alexandria ALEXAlex-ID: agm036760403 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_166_spg62
Ho5Zn2Sb Ho5Sb3
2025-01-22 05:22:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm036760403).
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 agm036760403
data_agm036760403
_cell_length_a 7.92975
_cell_length_b 9.11636
_cell_length_c 11.92341
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 861.94872
_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 0.82993 0.25000 0.71646 1.00000
Ho2 Ho 0.17007 0.75000 0.28354 1.00000
Ho3 Ho 0.32993 0.75000 0.78354 1.00000
Ho4 Ho 0.67007 0.25000 0.21646 1.00000
Ho5 Ho 0.35533 0.25000 0.79368 1.00000
Ho6 Ho 0.64467 0.75000 0.20632 1.00000
Ho7 Ho 0.85533 0.75000 0.70632 1.00000
Ho8 Ho 0.14467 0.25000 0.29368 1.00000
Ho9 Ho 0.96288 0.25000 0.00260 1.00000
Ho10 Ho 0.03712 0.75000 0.99740 1.00000
Ho11 Ho 0.46288 0.75000 0.49740 1.00000
Ho12 Ho 0.53712 0.25000 0.50260 1.00000
Ho13 Ho 0.68497 0.55014 0.93481 1.00000
Ho14 Ho 0.31503 0.44986 0.06519 1.00000
Ho15 Ho 0.18497 0.44986 0.56519 1.00000
Ho16 Ho 0.31503 0.05014 0.06519 1.00000
Ho17 Ho 0.81503 0.55014 0.43481 1.00000
Ho18 Ho 0.68497 0.94986 0.93481 1.00000
Ho19 Ho 0.81503 0.94986 0.43481 1.00000
Ho20 Ho 0.18497 0.05014 0.56519 1.00000
Zn1 Zn 0.59042 0.25000 0.97633 1.00000
Zn2 Zn 0.40958 0.75000 0.02367 1.00000
Zn3 Zn 0.09042 0.75000 0.52367 1.00000
Zn4 Zn 0.90958 0.25000 0.47633 1.00000
Sb1 Sb 0.56448 0.99152 0.67437 1.00000
Sb2 Sb 0.43552 0.00848 0.32563 1.00000
Sb3 Sb 0.06448 0.00848 0.82563 1.00000
Sb4 Sb 0.43552 0.49152 0.32563 1.00000
Sb5 Sb 0.93552 0.99152 0.17437 1.00000
Sb6 Sb 0.56448 0.50848 0.67437 1.00000
Sb7 Sb 0.93552 0.50848 0.17437 1.00000
Sb8 Sb 0.06448 0.49152 0.82563 1.00000
