Tb3Nd5Pd
Alexandria ALEXAlex-ID: agm072392569 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1260_spg157
Tb3Pd Nd
2024-09-24 17:14:04.423374
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072392569).
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 agm072392569
data_agm072392569
_cell_length_a 6.35129
_cell_length_b 6.35129
_cell_length_c 7.81035
_cell_angle_alpha 88.44932
_cell_angle_beta 88.44932
_cell_angle_gamma 70.07685
_cell_volume 296.04272
_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 0.11364 0.62108 0.80570 1.00000
Tb2 Tb 0.62108 0.11364 0.80570 1.00000
Tb3 Tb 0.11886 0.11886 0.57371 1.00000
Nd1 Nd 0.62602 0.62602 0.61171 1.00000
Nd2 Nd 0.12763 0.62738 0.36359 1.00000
Nd3 Nd 0.65562 0.65562 0.09884 1.00000
Nd4 Nd 0.62738 0.12763 0.36359 1.00000
Nd5 Nd 0.09290 0.09290 0.06625 1.00000
Pd1 Pd 0.37541 0.37541 0.07304 1.00000
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