Pr4HoP5
Alexandria ALEXAlex-ID: agm006106512 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
HoP PrP
2023-10-17 20:51:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006106512).
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 agm006106512
data_agm006106512
_cell_length_a 5.89269
_cell_length_b 7.21021
_cell_length_c 7.21021
_cell_angle_alpha 80.38758
_cell_angle_beta 65.88089
_cell_angle_gamma 65.88088
_cell_volume 255.18997
_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 0.40244 0.39803 0.79908 1.00000
Pr2 Pr 0.80047 0.79908 0.60197 1.00000
Pr3 Pr 0.20152 0.20092 0.39803 1.00000
Pr4 Pr 0.59955 0.60197 0.20092 1.00000
Ho1 Ho 0.00112 0.00000 0.00000 1.00000
P1 P 0.90322 0.39121 0.80437 1.00000
P2 P 0.29443 0.80437 0.60879 1.00000
P3 P 0.70759 0.19563 0.39121 1.00000
P4 P 0.09880 0.60879 0.19563 1.00000
P5 P 0.50116 0.00000 0.00000 1.00000
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