Pr6Al3InNi4Rh
Alexandria ALEXAlex-ID: agm010664379 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4E6_5_spg187
Pr11In9Ni4 Pr6Al3InNi5 Pr3(AlNi2)2 PrAlRh Pr4InRh
2024-03-10 01:03:15.334319
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010664379).
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 agm010664379
data_agm010664379
_cell_length_a 9.65645
_cell_length_b 9.65645
_cell_length_c 4.17914
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 337.48402
_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 0.34715 0.17358 0.00000 1.00000
Pr2 Pr 0.82642 0.17358 0.00000 1.00000
Pr3 Pr 0.82642 0.65285 0.00000 1.00000
Pr4 Pr 0.07983 0.53991 0.50000 1.00000
Pr5 Pr 0.46009 0.53991 0.50000 1.00000
Pr6 Pr 0.46009 0.92017 0.50000 1.00000
Al1 Al 0.80831 0.90416 0.50000 1.00000
Al2 Al 0.09584 0.90416 0.50000 1.00000
Al3 Al 0.09584 0.19169 0.50000 1.00000
In1 In 0.66667 0.33333 0.50000 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.64617 0.82308 0.00000 1.00000
Ni3 Ni 0.17692 0.82308 0.00000 1.00000
Ni4 Ni 0.17692 0.35383 0.00000 1.00000
Rh1 Rh 0.33333 0.66667 0.00000 1.00000
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