Pm2SmY7
Alexandria ALEXAlex-ID: agm005836680 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_328_spg2
Pm2SmY6 Pm2Y7 Pm(SmY3)2
2023-07-26 19:59:03.025968
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005836680).
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 agm005836680
data_agm005836680
_cell_length_a 6.20152
_cell_length_b 10.73547
_cell_length_c 11.32034
_cell_angle_alpha 137.36056
_cell_angle_beta 123.02108
_cell_angle_gamma 39.88900
_cell_volume 327.06803
_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 0.60010 0.59919 0.39850 1.00000
Pm2 Pm 0.39990 0.40081 0.60150 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.89972 0.90036 0.60040 1.00000
Y2 Y 0.10028 0.09964 0.39960 1.00000
Y3 Y 0.70020 0.70022 0.80029 1.00000
Y4 Y 0.29980 0.29978 0.19971 1.00000
Y5 Y 0.80022 0.79978 0.19986 1.00000
Y6 Y 0.19978 0.20022 0.80014 1.00000
Y7 Y 0.50000 0.50000 0.00000 1.00000
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