Pr8Bi2Ir3
Alexandria ALEXAlex-ID: agm003356005 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_213_spg12
Pr5Bi2Ir Pr5Ir3 PrBi
2022-02-03 09:53:13.506155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003356005).
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 agm003356005
data_agm003356005
_cell_length_a 7.17707
_cell_length_b 8.33846
_cell_length_c 9.27783
_cell_angle_alpha 116.70361
_cell_angle_beta 104.34598
_cell_angle_gamma 90.00000
_cell_volume 476.55761
_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
Pr1 Pr 0.89377 0.59334 0.18668 1.00000
Pr2 Pr 0.10623 0.40666 0.81332 1.00000
Pr3 Pr 0.90065 0.09853 0.19706 1.00000
Pr4 Pr 0.09935 0.90147 0.80294 1.00000
Pr5 Pr 0.60437 0.65710 0.79221 1.00000
Pr6 Pr 0.60437 0.13511 0.79221 1.00000
Pr7 Pr 0.39563 0.86489 0.20779 1.00000
Pr8 Pr 0.39563 0.34290 0.20779 1.00000
Bi1 Bi 0.33417 0.25769 0.51537 1.00000
Bi2 Bi 0.66583 0.74231 0.48463 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
Ir2 Ir 1.00000 0.25136 1.00000 1.00000
Ir3 Ir 0.00000 0.74864 0.00000 1.00000
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