CePr5Ho
Alexandria ALEXAlex-ID: agm005807828 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_831_spg2
Pr2Ho7 Ce Pr
2023-07-14 03:23:49.529017
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807828).
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 agm005807828
data_agm005807828
_cell_length_a 6.84486
_cell_length_b 6.38370
_cell_length_c 8.83065
_cell_angle_alpha 49.08599
_cell_angle_beta 74.94800
_cell_angle_gamma 100.34390
_cell_volume 247.16522
_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
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.68561 0.36701 0.13539 1.00000
Pr2 Pr 0.92554 0.23762 0.49730 1.00000
Pr3 Pr 0.50000 0.00000 0.00000 1.00000
Pr4 Pr 0.07446 0.76238 0.50270 1.00000
Pr5 Pr 0.31439 0.63299 0.86461 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
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