TbNd2Ir3
Alexandria ALEXAlex-ID: agm019301692 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4717_spg14
Nd5Ir3 Tb4Ir3 TbIr2
2025-04-14 04:38:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019301692).
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 agm019301692
data_agm019301692
_cell_length_a 5.82073
_cell_length_b 7.23205
_cell_length_c 13.80333
_cell_angle_alpha 90.19368
_cell_angle_beta 94.94897
_cell_angle_gamma 103.13473
_cell_volume 563.59285
_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 0.87997 0.38789 0.58861 1.00000
Tb2 Tb 0.81443 0.88341 0.88442 1.00000
Tb3 Tb 0.18557 0.11659 0.11558 1.00000
Tb4 Tb 0.12003 0.61211 0.41139 1.00000
Nd1 Nd 0.77611 0.36981 0.21157 1.00000
Nd2 Nd 0.66433 0.85577 0.28123 1.00000
Nd3 Nd 0.70235 0.37062 0.94823 1.00000
Nd4 Nd 0.74821 0.88029 0.58449 1.00000
Nd5 Nd 0.25179 0.11971 0.41551 1.00000
Nd6 Nd 0.29765 0.62938 0.05177 1.00000
Nd7 Nd 0.33567 0.14423 0.71877 1.00000
Nd8 Nd 0.22389 0.63019 0.78843 1.00000
Ir1 Ir 0.65699 0.03244 0.07905 1.00000
Ir2 Ir 0.58605 0.49280 0.41711 1.00000
Ir3 Ir 0.78418 0.18887 0.41262 1.00000
Ir4 Ir 0.82851 0.71998 0.08243 1.00000
Ir5 Ir 0.86142 0.21419 0.76108 1.00000
Ir6 Ir 0.68242 0.54328 0.74947 1.00000
Ir7 Ir 0.31758 0.45672 0.25053 1.00000
Ir8 Ir 0.13858 0.78581 0.23892 1.00000
Ir9 Ir 0.17149 0.28002 0.91757 1.00000
Ir10 Ir 0.21582 0.81113 0.58738 1.00000
Ir11 Ir 0.41395 0.50720 0.58289 1.00000
Ir12 Ir 0.34301 0.96756 0.92095 1.00000
