Hf8Mn2Bi4Pd
Alexandria ALEXAlex-ID: agm020152017 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D8_128_spg121
HfMn2 Hf4MnBi2 HfPd3 Bi
2024-12-22 10:21:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020152017).
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 agm020152017
data_agm020152017
_cell_length_a 5.43301
_cell_length_b 8.26684
_cell_length_c 8.26746
_cell_angle_alpha 83.82073
_cell_angle_beta 109.16349
_cell_angle_gamma 109.17344
_cell_volume 331.29029
_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
Hf1 Hf 0.05317 0.22921 0.38417 1.00000
Hf2 Hf 0.43996 0.77078 0.61591 1.00000
Hf3 Hf 0.94679 0.61582 0.77079 1.00000
Hf4 Hf 0.56009 0.38409 0.22921 1.00000
Hf5 Hf 0.17601 0.61576 0.22932 1.00000
Hf6 Hf 0.33097 0.38410 0.77082 1.00000
Hf7 Hf 0.66892 0.22917 0.61591 1.00000
Hf8 Hf 0.82415 0.77065 0.38426 1.00000
Mn1 Mn 0.00004 0.49996 0.50005 1.00000
Mn2 Mn 0.50003 0.49999 0.50003 1.00000
Bi1 Bi 0.63394 0.70665 0.00011 1.00000
Bi2 Bi 0.92805 0.29346 0.00001 1.00000
Bi3 Bi 0.36620 0.99991 0.29344 1.00000
Bi4 Bi 0.07181 1.00000 0.70650 1.00000
Pd1 Pd 0.49987 0.00046 0.99948 1.00000
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