PmSm2YHo6
Alexandria ALEXAlex-ID: agm004978428 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_695_spg15
SmHo5 Pm2SmY6 Sm2Ho7 Pm(SmHo3)2
2022-08-06 03:57:02.352114
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004978428).
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 agm004978428
data_agm004978428
_cell_length_a 9.67993
_cell_length_b 8.78122
_cell_length_c 8.78122
_cell_angle_alpha 118.26225
_cell_angle_beta 94.51630
_cell_angle_gamma 94.51630
_cell_volume 649.64879
_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 0.25000 0.40626 0.59374 1.00000
Pm2 Pm 0.75000 0.59374 0.40626 1.00000
Sm1 Sm 0.45789 0.80905 0.70289 1.00000
Sm2 Sm 0.04211 0.29711 0.19095 1.00000
Sm3 Sm 0.54211 0.19095 0.29711 1.00000
Sm4 Sm 0.95789 0.70289 0.80905 1.00000
Y1 Y 0.25000 0.98057 0.01943 1.00000
Y2 Y 0.75000 0.01943 0.98057 1.00000
Ho1 Ho 0.05648 0.12487 0.74565 1.00000
Ho2 Ho 0.44352 0.25435 0.87513 1.00000
Ho3 Ho 0.94352 0.87513 0.25435 1.00000
Ho4 Ho 0.55648 0.74565 0.12487 1.00000
Ho5 Ho 0.31503 0.97333 0.42342 1.00000
Ho6 Ho 0.18497 0.57658 0.02667 1.00000
Ho7 Ho 0.68497 0.02667 0.57658 1.00000
Ho8 Ho 0.81503 0.42342 0.97333 1.00000
Ho9 Ho 0.12057 0.70913 0.49944 1.00000
Ho10 Ho 0.37943 0.50056 0.29087 1.00000
Ho11 Ho 0.87943 0.29087 0.50056 1.00000
Ho12 Ho 0.62057 0.49944 0.70913 1.00000
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