Tb3Nd4Sm5
Alexandria ALEXAlex-ID: agm005697281 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_119_spg2
Nd3Sm5 NdSm5 Tb4Nd3Sm
2023-06-29 12:44:52.995781
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697281).
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 agm005697281
data_agm005697281
_cell_length_a 7.25243
_cell_length_b 11.47755
_cell_length_c 13.08819
_cell_angle_alpha 151.28502
_cell_angle_beta 56.37819
_cell_angle_gamma 129.22611
_cell_volume 405.48113
_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
Tb1 Tb 0.58054 0.16531 0.33327 1.00000
Tb2 Tb 0.00000 0.00000 0.50000 1.00000
Tb3 Tb 0.41946 0.83469 0.66673 1.00000
Nd1 Nd 0.91611 0.83325 0.66565 1.00000
Nd2 Nd 0.83257 0.66648 0.83375 1.00000
Nd3 Nd 0.16743 0.33352 0.16625 1.00000
Nd4 Nd 0.08389 0.16675 0.33435 1.00000
Sm1 Sm 0.33303 0.66570 0.83289 1.00000
Sm2 Sm 0.50000 0.00000 0.50000 1.00000
Sm3 Sm 0.75130 0.49813 0.99844 1.00000
Sm4 Sm 0.24870 0.50187 0.00156 1.00000
Sm5 Sm 0.66697 0.33430 0.16711 1.00000
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