Pm3Sm2YP6
Alexandria ALEXAlex-ID: agm034652902 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Pm3SmP4 PmSm3P4 YP
2025-03-02 01:38:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034652902).
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 agm034652902
data_agm034652902
_cell_length_a 9.17731
_cell_length_b 9.17731
_cell_length_c 8.20925
_cell_angle_alpha 77.08058
_cell_angle_beta 102.91942
_cell_angle_gamma 154.15377
_cell_volume 293.38629
_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 0.83333 0.16667 0.16617 1.00000
Pm3 Pm 0.16667 0.83333 0.83383 1.00000
Sm1 Sm 0.83381 0.16619 0.66740 1.00000
Sm2 Sm 0.16619 0.83381 0.33260 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
P1 P 0.33507 0.66493 0.91667 1.00000
P2 P 0.66696 0.33304 0.58260 1.00000
P3 P 0.66493 0.33507 0.08333 1.00000
P4 P 0.00016 0.99984 0.24543 1.00000
P5 P 0.99984 0.00016 0.75457 1.00000
P6 P 0.33304 0.66696 0.41740 1.00000
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