TbNd6Sm5
Alexandria ALEXAlex-ID: agm006118599 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_54_spg12
Nd3Sm5 Tb4Nd3Sm Nd
2023-09-02 07:03:38.647156
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118599).
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 agm006118599
data_agm006118599
_cell_length_a 6.32941
_cell_length_b 6.32892
_cell_length_c 12.07772
_cell_angle_alpha 84.96475
_cell_angle_beta 79.89089
_cell_angle_gamma 59.99739
_cell_volume 412.47902
_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
Nd1 Nd 0.58457 0.33286 0.24933 1.00000
Nd2 Nd 0.08258 0.33286 0.75067 1.00000
Nd3 Nd 0.74996 0.00000 0.75057 1.00000
Nd4 Nd 0.25004 1.00000 0.24943 1.00000
Nd5 Nd 0.91742 0.66714 0.24933 1.00000
Nd6 Nd 0.41543 0.66714 0.75067 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.16652 0.66696 0.50000 1.00000
Sm2 Sm 0.33318 0.33365 0.00000 1.00000
Sm3 Sm 0.50000 0.00000 0.50000 1.00000
Sm4 Sm 0.66682 0.66635 1.00000 1.00000
Sm5 Sm 0.83348 0.33304 0.50000 1.00000
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