Pm(Sm3Er4)2
Alexandria ALEXAlex-ID: agm067063733 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_187_spg148
SmEr2 Pm2SmEr6 Sm
2025-02-25 22:04:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067063733).
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 agm067063733
data_agm067063733
_cell_length_a 14.80670
_cell_length_b 14.80670
_cell_length_c 14.80670
_cell_angle_alpha 24.19210
_cell_angle_beta 24.19210
_cell_angle_gamma 24.19210
_cell_volume 479.12061
_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 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.06768 0.73344 0.40174 1.00000
Sm2 Sm 0.26656 0.59826 0.93232 1.00000
Sm3 Sm 0.59826 0.93232 0.26656 1.00000
Sm4 Sm 0.40174 0.06768 0.73344 1.00000
Sm5 Sm 0.73344 0.40174 0.06768 1.00000
Sm6 Sm 0.93232 0.26656 0.59826 1.00000
Er1 Er 0.19876 0.86576 0.53264 1.00000
Er2 Er 0.13424 0.46736 0.80124 1.00000
Er3 Er 0.46736 0.80124 0.13424 1.00000
Er4 Er 0.66665 0.66665 0.66665 1.00000
Er5 Er 0.33335 0.33335 0.33335 1.00000
Er6 Er 0.53264 0.19876 0.86576 1.00000
Er7 Er 0.86576 0.53264 0.19876 1.00000
Er8 Er 0.80124 0.13424 0.46736 1.00000
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