Pm6Mg5Bi
Alexandria ALEXAlex-ID: agm006113956 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
PmMg Pm5Bi3 PmMg3
2023-09-17 12:52:56.743250
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113956).
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 agm006113956
data_agm006113956
_cell_length_a 5.49863
_cell_length_b 9.52384
_cell_length_c 9.52384
_cell_angle_alpha 120.55281
_cell_angle_beta 106.77689
_cell_angle_gamma 106.77691
_cell_volume 349.21435
_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
Mg1 Mg 0.50000 0.17251 0.82749 1.00000
Mg2 Mg 0.00000 0.33421 0.66580 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Mg4 Mg 1.00000 0.66579 0.33420 1.00000
Mg5 Mg 0.50000 0.82749 0.17251 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.25093 0.08302 0.41887 1.00000
Pm2 Pm 0.74907 0.58113 0.91698 1.00000
Pm3 Pm 0.75067 0.25070 0.25070 1.00000
Pm4 Pm 0.24933 0.74930 0.74930 1.00000
Pm5 Pm 0.25093 0.41887 0.08302 1.00000
Pm6 Pm 0.74907 0.91698 0.58113 1.00000
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