Tb6Nd5Er
Alexandria ALEXAlex-ID: agm006118818 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
Tb(NdEr3)2 Tb5Nd3 Nd
2023-09-02 05:09:16.748854
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118818).
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 agm006118818
data_agm006118818
_cell_length_a 5.10331
_cell_length_b 10.17532
_cell_length_c 9.53982
_cell_angle_alpha 122.18144
_cell_angle_beta 105.48032
_cell_angle_gamma 90.06060
_cell_volume 397.78703
_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 0.66522 0.16529 0.33059 1.00000
Nd2 Nd 0.33330 0.33324 0.66649 1.00000
Nd3 Nd 0.00000 0.50000 0.00000 1.00000
Nd4 Nd 0.66670 0.66676 0.33351 1.00000
Nd5 Nd 0.33478 0.83471 0.66941 1.00000
Tb1 Tb 0.83386 0.58491 0.66769 1.00000
Tb2 Tb 0.83377 0.08268 0.66753 1.00000
Tb3 Tb 0.50006 0.75196 0.00003 1.00000
Tb4 Tb 0.49994 0.24804 0.99997 1.00000
Tb5 Tb 0.16623 0.91732 0.33247 1.00000
Tb6 Tb 0.16614 0.41509 0.33231 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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