Sm3(PaCo2)2
Alexandria ALEXAlex-ID: agm005648422 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_316_spg12
SmPaCo2 Sm2PaCo2
2023-06-26 22:08:05.716336
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648422).
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 agm005648422
data_agm005648422
_cell_length_a 3.71590
_cell_length_b 6.02722
_cell_length_c 9.12792
_cell_angle_alpha 101.36304
_cell_angle_beta 90.00001
_cell_angle_gamma 107.95443
_cell_volume 190.26184
_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
Sm1 Sm 0.37568 0.75136 0.61672 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.62432 0.24864 0.38328 1.00000
Pa1 Pa 0.32036 0.64072 0.22107 1.00000
Pa2 Pa 0.67964 0.35928 0.77893 1.00000
Co1 Co 0.70611 0.41221 0.07199 1.00000
Co2 Co 0.07870 0.15740 0.61965 1.00000
Co3 Co 0.92130 0.84260 0.38035 1.00000
Co4 Co 0.29389 0.58779 0.92801 1.00000
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