Pm4HoEr3Bi8
Alexandria ALEXAlex-ID: agm045253281 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_89_spg5
HoEr3Bi4 PmBi
2025-01-19 02:19:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045253281).
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 agm045253281
data_agm045253281
_cell_length_a 9.02474
_cell_length_b 9.02474
_cell_length_c 9.02474
_cell_angle_alpha 60.10023
_cell_angle_beta 60.10023
_cell_angle_gamma 60.10023
_cell_volume 520.92426
_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
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.00000 0.00000 0.50000 1.00000
Pm3 Pm 0.00000 0.50000 0.00000 1.00000
Pm4 Pm 0.50000 0.00000 0.00000 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.50000 0.00000 0.50000 1.00000
Er2 Er 0.00000 0.50000 0.50000 1.00000
Er3 Er 0.50000 0.50000 0.00000 1.00000
Bi1 Bi 0.74663 0.24731 0.24731 1.00000
Bi2 Bi 0.24731 0.74663 0.24731 1.00000
Bi3 Bi 0.25302 0.25302 0.25302 1.00000
Bi4 Bi 0.24731 0.24731 0.74663 1.00000
Bi5 Bi 0.75269 0.75269 0.25337 1.00000
Bi6 Bi 0.74698 0.74698 0.74698 1.00000
Bi7 Bi 0.75269 0.25337 0.75269 1.00000
Bi8 Bi 0.25337 0.75269 0.75269 1.00000
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