HoPuS3
Alexandria ALEXAlex-ID: agm003710184 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4874_spg11
Pu2S3 Ho2S3
2022-04-18 00:55:44.129280
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003710184).
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 agm003710184
data_agm003710184
_cell_length_a 3.88855
_cell_length_b 7.75443
_cell_length_c 7.76291
_cell_angle_alpha 93.57077
_cell_angle_beta 89.99992
_cell_angle_gamma 89.99992
_cell_volume 233.62412
_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 0.25001 0.85714 0.32436 1.00000
Ho2 Ho 0.74999 0.14286 0.67564 1.00000
Pu1 Pu 0.25000 0.38625 0.22764 1.00000
Pu2 Pu 0.75000 0.61375 0.77236 1.00000
S1 S 0.75001 0.62217 0.38397 1.00000
S2 S 0.24999 0.37783 0.61603 1.00000
S3 S 0.74999 0.31781 0.97967 1.00000
S4 S 0.25000 0.89585 0.67968 1.00000
S5 S 0.25001 0.68219 0.02033 1.00000
S6 S 0.75000 0.10415 0.32032 1.00000
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