Ho3BiS2
Alexandria ALEXAlex-ID: agm005804536 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1007_spg74
HoBi HoS
2023-08-25 03:17:02.657903
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804536).
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 agm005804536
data_agm005804536
_cell_length_a 8.27301
_cell_length_b 7.76993
_cell_length_c 7.76993
_cell_angle_alpha 54.95816
_cell_angle_beta 57.83402
_cell_angle_gamma 57.83402
_cell_volume 327.11461
_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 1.00000 0.73003 0.26997 1.00000
Ho2 Ho 0.00000 0.26997 0.73003 1.00000
Ho3 Ho 0.50000 0.76997 0.23003 1.00000
Ho4 Ho 0.50000 0.00000 0.50000 1.00000
Ho5 Ho 0.50000 0.50000 0.00000 1.00000
Ho6 Ho 0.50000 0.23003 0.76997 1.00000
Bi1 Bi 0.15224 0.25000 0.25000 1.00000
Bi2 Bi 0.84776 0.75000 0.75000 1.00000
S1 S 0.27575 0.93687 0.93687 1.00000
S2 S 0.35050 0.43687 0.43687 1.00000
S3 S 0.64950 0.56313 0.56313 1.00000
S4 S 0.72425 0.06313 0.06313 1.00000
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