Pm2Sm4In
Alexandria ALEXAlex-ID: agm003449293 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_847_spg8
PmSm5In2 Pm5SmIn2 Sm
2022-02-17 19:39:57.281888
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003449293).
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
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# CIF generated by HEAS from Alexandria entry agm003449293
data_agm003449293
_cell_length_a 3.67377
_cell_length_b 3.67377
_cell_length_c 20.00412
_cell_angle_alpha 84.73138
_cell_angle_beta 84.73138
_cell_angle_gamma 60.00000
_cell_volume 232.49725
_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 0.80843 0.80843 0.57472 1.00000
Pm2 Pm 0.19157 0.19157 0.42528 1.00000
Sm1 Sm 0.70923 0.70923 0.87230 1.00000
Sm2 Sm 0.90786 0.90786 0.27642 1.00000
Sm3 Sm 0.29077 0.29077 0.12770 1.00000
Sm4 Sm 0.09214 0.09214 0.72358 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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