Pm6Pr3Y
Alexandria ALEXAlex-ID: agm005952811 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_1302_spg12
Pm3PrY4 PmPr3Y4 Pm2Pr
2023-09-23 17:31:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005952811).
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 agm005952811
data_agm005952811
_cell_length_a 7.09030
_cell_length_b 12.97994
_cell_length_c 10.12107
_cell_angle_alpha 148.66776
_cell_angle_beta 110.50408
_cell_angle_gamma 90.00000
_cell_volume 357.98570
_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 0.32922 0.30265 0.11321 1.00000
Pm2 Pm 0.21601 0.69735 0.88679 1.00000
Pm3 Pm 0.67078 0.69735 0.88679 1.00000
Pm4 Pm 0.78399 0.30265 0.11321 1.00000
Pm5 Pm 0.17089 0.83514 0.34179 1.00000
Pm6 Pm 0.82911 0.16486 0.65821 1.00000
Pr1 Pr 0.69697 0.23279 0.39394 1.00000
Pr2 Pr 0.30303 0.76721 0.60606 1.00000
Pr3 Pr 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
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