AcLa(Pr2Sm)2
Alexandria ALEXAlex-ID: agm004771319 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_471_spg47
La3Pr5 Ac Pr PrSm4
2023-02-07 10:07:50.068427
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004771319).
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 agm004771319
data_agm004771319
_cell_length_a 10.55287
_cell_length_b 10.61431
_cell_length_c 12.92899
_cell_angle_alpha 114.26286
_cell_angle_beta 144.69704
_cell_angle_gamma 89.92011
_cell_volume 590.11647
_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
Ac1 Ac 0.00036 0.50035 0.00037 1.00000
Ac2 Ac 0.00012 0.50013 0.50013 1.00000
La1 La 0.49975 0.49970 0.49974 1.00000
La2 La 0.99962 0.99962 0.99961 1.00000
Pr1 Pr 0.26019 0.75557 0.00788 1.00000
Pr2 Pr 0.74937 0.24481 0.49699 1.00000
Pr3 Pr 0.25055 0.75525 0.50309 1.00000
Pr4 Pr 0.74001 0.24447 0.99218 1.00000
Pr5 Pr 0.75519 0.75505 0.00756 1.00000
Pr6 Pr 0.75538 0.75517 0.50287 1.00000
Pr7 Pr 0.24469 0.24479 0.49705 1.00000
Pr8 Pr 0.24463 0.24491 0.99239 1.00000
Sm1 Sm 0.50021 0.00024 0.00022 1.00000
Sm2 Sm 0.50019 0.00023 0.50020 1.00000
Sm3 Sm 0.99992 0.99992 0.49991 1.00000
Sm4 Sm 0.49981 0.49979 0.99980 1.00000
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