LaNd5Sm12
Alexandria ALEXAlex-ID: agm006065415 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_40_spg12
Nd3Sm5 LaNd3Sm4 NdSm5
2023-08-10 14:34:21.201402
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006065415).
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 agm006065415
data_agm006065415
_cell_length_a 10.96426
_cell_length_b 10.95751
_cell_length_c 6.32277
_cell_angle_alpha 106.61262
_cell_angle_beta 90.00217
_cell_angle_gamma 59.97621
_cell_volume 620.80910
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.50000 0.00000 0.50000 1.00000
Nd2 Nd 0.16715 0.66598 0.49908 1.00000
Nd3 Nd 0.83286 0.33402 0.50092 1.00000
Nd4 Nd 0.66691 0.66631 0.00024 1.00000
Nd5 Nd 0.33310 0.33369 0.99976 1.00000
Sm1 Sm 0.83213 0.99998 0.50028 1.00000
Sm2 Sm 0.16787 0.00003 0.49972 1.00000
Sm3 Sm 0.66635 0.00000 0.00027 1.00000
Sm4 Sm 0.33366 0.00000 0.99973 1.00000
Sm5 Sm 0.33490 0.66552 0.99917 1.00000
Sm6 Sm 0.99976 0.66559 0.99956 1.00000
Sm7 Sm 0.00025 0.33442 0.00044 1.00000
Sm8 Sm 0.66511 0.33449 0.00083 1.00000
Sm9 Sm 0.50037 0.33323 0.49930 1.00000
Sm10 Sm 0.83370 0.66681 0.50106 1.00000
Sm11 Sm 0.16630 0.33320 0.49894 1.00000
Sm12 Sm 0.49964 0.66678 0.50069 1.00000
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