Pm3SmY8
Alexandria ALEXAlex-ID: agm006010708 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_285_spg44
Pm2SmY6 PmY2
2023-09-13 02:22:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010708).
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 agm006010708
data_agm006010708
_cell_length_a 8.54229
_cell_length_b 8.55093
_cell_length_c 8.54229
_cell_angle_alpha 95.80094
_cell_angle_beta 136.28117
_cell_angle_gamma 100.13145
_cell_volume 399.91769
_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 0.49801 0.75015 0.24801 1.00000
Pm2 Pm 0.49786 0.24985 0.74786 1.00000
Pm3 Pm 0.16847 0.50000 0.66847 1.00000
Sm1 Sm 0.16889 1.00000 0.16889 1.00000
Y1 Y 0.50101 0.33334 0.16740 1.00000
Y2 Y 0.50158 0.83362 0.66749 1.00000
Y3 Y 0.83405 0.66666 0.16767 1.00000
Y4 Y 0.83387 0.16638 0.66796 1.00000
Y5 Y 0.16550 0.41636 0.24915 1.00000
Y6 Y 0.83272 0.08329 0.24853 1.00000
Y7 Y 0.83279 0.58364 0.74915 1.00000
Y8 Y 0.16523 0.91671 0.74943 1.00000
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