Tb12CeNd6
Alexandria ALEXAlex-ID: agm006115528 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_40_spg148
Tb5Nd3 Ce Tb5Nd
2023-08-25 15:43:10.347091
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115528).
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 agm006115528
data_agm006115528
_cell_length_a 8.78583
_cell_length_b 8.78583
_cell_length_c 8.78583
_cell_angle_alpha 99.11636
_cell_angle_beta 99.11636
_cell_angle_gamma 99.11636
_cell_volume 649.33719
_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 0.75622 0.24378 0.50000 1.00000
Tb2 Tb 0.35298 0.07970 0.35298 1.00000
Tb3 Tb 0.35298 0.35298 0.07970 1.00000
Tb4 Tb 0.92030 0.64702 0.64702 1.00000
Tb5 Tb 0.64702 0.64702 0.92030 1.00000
Tb6 Tb 0.64702 0.92030 0.64702 1.00000
Tb7 Tb 0.50000 0.75622 0.24378 1.00000
Tb8 Tb 0.24378 0.50000 0.75622 1.00000
Tb9 Tb 0.24378 0.75622 0.50000 1.00000
Tb10 Tb 0.50000 0.24378 0.75622 1.00000
Tb11 Tb 0.75622 0.50000 0.24378 1.00000
Tb12 Tb 0.07970 0.35298 0.35298 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.90223 0.34049 0.90223 1.00000
Nd2 Nd 0.90223 0.90223 0.34049 1.00000
Nd3 Nd 0.34049 0.90223 0.90223 1.00000
Nd4 Nd 0.09777 0.09777 0.65951 1.00000
Nd5 Nd 0.09777 0.65951 0.09777 1.00000
Nd6 Nd 0.65951 0.09777 0.09777 1.00000
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