Pm3Y2PaP6
Alexandria ALEXAlex-ID: agm043101302 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_125_spg2
Pm3Y2PaP6
2025-03-07 06:35:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm043101302).
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 agm043101302
data_agm043101302
_cell_length_a 9.07658
_cell_length_b 9.07658
_cell_length_c 8.12549
_cell_angle_alpha 76.84800
_cell_angle_beta 103.15200
_cell_angle_gamma 154.14190
_cell_volume 283.89297
_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 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.16864 0.83136 0.83036 1.00000
Pm3 Pm 0.83136 0.16864 0.16964 1.00000
Y1 Y 0.16787 0.83213 0.33727 1.00000
Y2 Y 0.83213 0.16787 0.66273 1.00000
Pa1 Pa 0.50000 0.50000 0.00000 1.00000
P1 P 0.66145 0.33855 0.08482 1.00000
P2 P 0.33190 0.66810 0.42035 1.00000
P3 P 0.33855 0.66145 0.91518 1.00000
P4 P 0.99880 0.00120 0.76094 1.00000
P5 P 0.00120 0.99880 0.23906 1.00000
P6 P 0.66810 0.33190 0.57965 1.00000
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