Pr8YCu4
Alexandria ALEXAlex-ID: agm097775331 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1607_spg8
YCu Pr PrCu
2025-06-15 04:44:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097775331).
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 agm097775331
data_agm097775331
_cell_length_a 3.78114
_cell_length_b 10.90266
_cell_length_c 10.22728
_cell_angle_alpha 60.51122
_cell_angle_beta 89.98215
_cell_angle_gamma 89.98886
_cell_volume 366.99483
_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 0.23075 0.11011 0.29096 1.00000
Pr2 Pr 0.73073 0.69542 0.99875 1.00000
Pr3 Pr 0.23086 0.70113 0.67952 1.00000
Pr4 Pr 0.23081 0.27082 0.71141 1.00000
Pr5 Pr 0.23084 0.68312 0.31812 1.00000
Pr6 Pr 0.73081 0.37270 0.37088 1.00000
Pr7 Pr 0.73074 0.37151 0.94616 1.00000
Pr8 Pr 0.73071 0.01382 0.63012 1.00000
Y1 Y 0.73072 0.00728 0.05616 1.00000
Cu1 Cu 0.23064 0.93034 0.89230 1.00000
Cu2 Cu 0.23069 0.45785 0.11296 1.00000
Cu3 Cu 0.73088 0.53818 0.58225 1.00000
Cu4 Cu 0.73082 0.84772 0.41040 1.00000
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