HoPuTe2
Alexandria ALEXAlex-ID: agm033869730 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_11079_spg12
HoPuTe2
2024-08-24 23:45:35.352884
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033869730).
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 agm033869730
data_agm033869730
_cell_length_a 9.79942
_cell_length_b 9.79942
_cell_length_c 8.79402
_cell_angle_alpha 77.11118
_cell_angle_beta 77.11118
_cell_angle_gamma 25.74245
_cell_volume 357.04920
_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 0.83187 0.83187 0.83378 1.00000
Ho2 Ho 0.16813 0.16813 0.16622 1.00000
Ho3 Ho 0.50000 0.50000 0.00000 1.00000
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
Pu2 Pu 0.16516 0.16516 0.66812 1.00000
Pu3 Pu 0.83484 0.83484 0.33188 1.00000
Te1 Te 0.33401 0.33401 0.07768 1.00000
Te2 Te 0.66741 0.66741 0.41291 1.00000
Te3 Te 0.66599 0.66599 0.92232 1.00000
Te4 Te 0.00286 0.00286 0.24424 1.00000
Te5 Te 0.99714 0.99714 0.75576 1.00000
Te6 Te 0.33259 0.33259 0.58709 1.00000
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