Tb5Nd3Ir
Alexandria ALEXAlex-ID: agm072792913 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1069_spg12
Tb3Ir Tb5Nd3 Nd
2024-09-24 15:36:11.280032
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072792913).
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 agm072792913
data_agm072792913
_cell_length_a 5.93797
_cell_length_b 7.35324
_cell_length_c 7.35311
_cell_angle_alpha 71.00828
_cell_angle_beta 77.48024
_cell_angle_gamma 77.74218
_cell_volume 292.84964
_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 0.00000 1.00000
Tb2 Tb 0.99824 0.30227 0.69556 1.00000
Tb3 Tb 0.00176 0.69773 0.30444 1.00000
Tb4 Tb 0.00124 0.76386 0.77140 1.00000
Tb5 Tb 0.99876 0.23614 0.22860 1.00000
Nd1 Nd 0.50000 0.00000 0.50000 1.00000
Nd2 Nd 0.50000 0.50000 0.00000 1.00000
Nd3 Nd 0.50000 0.50000 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
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