Tb3Nd5Se8
Alexandria ALEXAlex-ID: agm005712840 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5C8_3_spg166
TbNd4Se5 Tb2Nd3Se5
2023-06-30 16:14:40.754086
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005712840).
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
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# CIF generated by HEAS from Alexandria entry agm005712840
data_agm005712840
_cell_length_a 8.32814
_cell_length_b 8.32814
_cell_length_c 8.40188
_cell_angle_alpha 60.28989
_cell_angle_beta 60.28988
_cell_angle_gamma 59.99998
_cell_volume 413.85371
_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 0.50000 0.00000 0.50000 1.00000
Tb2 Tb 0.00000 0.00000 0.50000 1.00000
Tb3 Tb 0.00000 0.50000 0.50000 1.00000
Nd1 Nd 0.50000 0.00000 0.00000 1.00000
Nd2 Nd 0.50000 0.50000 0.00000 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
Nd4 Nd 0.00000 0.50000 0.00000 1.00000
Nd5 Nd 0.50000 0.50000 0.50000 1.00000
Se1 Se 0.25006 0.25006 0.74103 1.00000
Se2 Se 0.25006 0.75884 0.74103 1.00000
Se3 Se 0.75884 0.25006 0.74103 1.00000
Se4 Se 0.75434 0.75434 0.73697 1.00000
Se5 Se 0.74994 0.74994 0.25897 1.00000
Se6 Se 0.74994 0.24116 0.25897 1.00000
Se7 Se 0.24116 0.74994 0.25897 1.00000
Se8 Se 0.24566 0.24566 0.26303 1.00000
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