Pm8Pr2Y3
Alexandria ALEXAlex-ID: agm005604176 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_364_spg2
Pm3PrY4 Pm5Y Pm2Pr
2023-06-16 17:11:44.924384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604176).
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 agm005604176
data_agm005604176
_cell_length_a 6.31553
_cell_length_b 6.30945
_cell_length_c 12.09053
_cell_angle_alpha 69.66922
_cell_angle_beta 85.03221
_cell_angle_gamma 80.41126
_cell_volume 445.23729
_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
Pm1 Pm 0.07774 0.38620 0.15172 1.00000
Pm2 Pm 0.92226 0.61380 0.84828 1.00000
Pm3 Pm 0.15499 0.77237 0.30439 1.00000
Pm4 Pm 0.84501 0.22763 0.69561 1.00000
Pm5 Pm 0.38308 0.92092 0.77173 1.00000
Pm6 Pm 0.30773 0.53566 0.61774 1.00000
Pm7 Pm 0.69227 0.46434 0.38226 1.00000
Pm8 Pm 0.61692 0.07908 0.22827 1.00000
Pr1 Pr 0.76964 0.84398 0.53986 1.00000
Pr2 Pr 0.23036 0.15602 0.46014 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.46123 0.30671 0.92423 1.00000
Y3 Y 0.53877 0.69329 0.07577 1.00000
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