Pm2B4Ir5
Alexandria ALEXAlex-ID: agm003365663 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_20_spg69
Pm2B4Ir5
2022-02-04 23:35:19.935224
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003365663).
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 agm003365663
data_agm003365663
_cell_length_a 5.54537
_cell_length_b 5.70713
_cell_length_c 6.34083
_cell_angle_alpha 77.73461
_cell_angle_beta 64.06988
_cell_angle_gamma 60.93328
_cell_volume 157.74340
_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 0.85819 0.00000 0.28362 1.00000
Pm2 Pm 0.14181 1.00000 0.71638 1.00000
B1 B 0.47394 0.31596 0.73616 1.00000
B2 B 0.52606 0.68404 0.26384 1.00000
B3 B 0.21010 0.31596 0.26384 1.00000
B4 B 0.78990 0.68404 0.73616 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
Ir2 Ir 0.00000 0.50000 0.00000 1.00000
Ir3 Ir 0.50000 0.50000 0.00000 1.00000
Ir4 Ir 0.25000 0.50000 0.50000 1.00000
Ir5 Ir 0.75000 0.50000 0.50000 1.00000
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