Ho2Th4Sb3N2
Alexandria ALEXAlex-ID: agm004490933 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_39_spg139
Ho5ThSb6 Ho5ThN6 Th2Sb ThN
2022-06-18 03:42:05.033147
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004490933).
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 agm004490933
data_agm004490933
_cell_length_a 4.73620
_cell_length_b 4.73620
_cell_length_c 13.47097
_cell_angle_alpha 100.12480
_cell_angle_beta 100.12480
_cell_angle_gamma 90.00000
_cell_volume 292.68874
_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 0.30285 0.30285 0.60570 1.00000
Ho2 Ho 0.69715 0.69715 0.39430 1.00000
Th1 Th 0.41412 0.91413 0.82825 1.00000
Th2 Th 0.91412 0.41413 0.82825 1.00000
Th3 Th 0.08588 0.58587 0.17175 1.00000
Th4 Th 0.58588 0.08587 0.17175 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
Sb2 Sb 0.18134 0.18134 0.36268 1.00000
Sb3 Sb 0.81866 0.81866 0.63732 1.00000
N1 N 0.39035 0.39035 0.78070 1.00000
N2 N 0.60965 0.60965 0.21930 1.00000
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