Pr6In5Bi
Alexandria ALEXAlex-ID: agm006115570 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
PrIn PrBi
2023-08-28 08:58:13.102071
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115570).
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 agm006115570
data_agm006115570
_cell_length_a 5.18407
_cell_length_b 9.30603
_cell_length_c 9.30600
_cell_angle_alpha 112.51368
_cell_angle_beta 106.16507
_cell_angle_gamma 106.16496
_cell_volume 358.88193
_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 0.24976 0.08361 0.41598 1.00000
Pr2 Pr 0.75024 0.58401 0.91639 1.00000
Pr3 Pr 0.75186 0.25225 0.25224 1.00000
Pr4 Pr 0.24814 0.74775 0.74776 1.00000
Pr5 Pr 0.24976 0.41599 0.08361 1.00000
Pr6 Pr 0.75024 0.91639 0.58402 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
In1 In 0.50000 0.17439 0.82560 1.00000
In2 In 1.00000 0.33308 0.66691 1.00000
In3 In 0.50000 0.50000 0.50000 1.00000
In4 In 0.00000 0.66692 0.33309 1.00000
In5 In 0.50000 0.82561 0.17440 1.00000
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