Ho5BTe4
Alexandria ALEXAlex-ID: agm003659699 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_3_spg79
Ho6BTe5 HoB2 Ho
2022-04-06 04:39:27.112352
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003659699).
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 agm003659699
data_agm003659699
_cell_length_a 5.99792
_cell_length_b 7.37548
_cell_length_c 7.37548
_cell_angle_alpha 80.48337
_cell_angle_beta 66.00777
_cell_angle_gamma 66.00777
_cell_volume 272.32890
_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 0.91057 0.34276 0.84079 1.00000
Ho2 Ho 0.25332 0.84079 0.65724 1.00000
Ho3 Ho 0.75135 0.15921 0.34276 1.00000
Ho4 Ho 0.09411 0.65724 0.15921 1.00000
Ho5 Ho 0.47301 0.00000 0.00000 1.00000
B1 B 0.02109 0.00000 0.00000 1.00000
Te1 Te 0.41498 0.39601 0.77745 1.00000
Te2 Te 0.81099 0.77745 0.60399 1.00000
Te3 Te 0.19243 0.22255 0.39601 1.00000
Te4 Te 0.58844 0.60399 0.22255 1.00000
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