Pm2BiSb
Alexandria ALEXAlex-ID: agm077621634 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_59_spg15
Pm4BiSb3 Pm4Bi3Sb
2025-01-10 03:24:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077621634).
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 agm077621634
data_agm077621634
_cell_length_a 10.13297
_cell_length_b 10.13297
_cell_length_c 7.85551
_cell_angle_alpha 74.99169
_cell_angle_beta 105.00831
_cell_angle_gamma 53.27057
_cell_volume 527.69349
_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 0.69522 0.17977 0.75447 1.00000
Pm2 Pm 0.30478 0.82023 0.24553 1.00000
Pm3 Pm 0.17977 0.69522 0.74553 1.00000
Pm4 Pm 0.82023 0.30478 0.25447 1.00000
Pm5 Pm 0.43536 0.93971 0.74562 1.00000
Pm6 Pm 0.56464 0.06029 0.25438 1.00000
Pm7 Pm 0.93971 0.43536 0.75438 1.00000
Pm8 Pm 0.06029 0.56464 0.24562 1.00000
Bi1 Bi 0.68662 0.68662 0.25000 1.00000
Bi2 Bi 0.31338 0.31338 0.75000 1.00000
Bi3 Bi 0.56169 0.56169 0.75000 1.00000
Bi4 Bi 0.43831 0.43831 0.25000 1.00000
Sb1 Sb 0.93672 0.93672 0.25000 1.00000
Sb2 Sb 0.06328 0.06328 0.75000 1.00000
Sb3 Sb 0.81174 0.81174 0.75000 1.00000
Sb4 Sb 0.18826 0.18826 0.25000 1.00000
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