Nd3Tl2Rh
Alexandria ALEXAlex-ID: agm005751223 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2905_spg62
Nd11Tl9Rh4 Nd21(Tl2Rh5)2 NdTl
2023-08-24 18:12:17.119901
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751223).
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 agm005751223
data_agm005751223
_cell_length_a 4.11558
_cell_length_b 12.92913
_cell_length_c 13.20943
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 702.88574
_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 0.25000 0.37618 0.03729 1.00000
Nd2 Nd 0.75000 0.62382 0.96271 1.00000
Nd3 Nd 0.75000 0.87618 0.46271 1.00000
Nd4 Nd 0.25000 0.12382 0.53729 1.00000
Nd5 Nd 0.25000 0.71758 0.24904 1.00000
Nd6 Nd 0.75000 0.28242 0.75096 1.00000
Nd7 Nd 0.75000 0.21758 0.25096 1.00000
Nd8 Nd 0.25000 0.78242 0.74904 1.00000
Nd9 Nd 0.25000 0.46419 0.38256 1.00000
Nd10 Nd 0.75000 0.53581 0.61744 1.00000
Nd11 Nd 0.75000 0.96419 0.11744 1.00000
Nd12 Nd 0.25000 0.03581 0.88256 1.00000
Tl1 Tl 0.25000 0.69523 0.50683 1.00000
Tl2 Tl 0.75000 0.30477 0.49317 1.00000
Tl3 Tl 0.75000 0.19523 0.99317 1.00000
Tl4 Tl 0.25000 0.80477 0.00683 1.00000
Tl5 Tl 0.25000 0.00183 0.31480 1.00000
Tl6 Tl 0.75000 0.99817 0.68520 1.00000
Tl7 Tl 0.75000 0.50183 0.18520 1.00000
Tl8 Tl 0.25000 0.49817 0.81480 1.00000
Rh1 Rh 0.25000 0.12325 0.13394 1.00000
Rh2 Rh 0.75000 0.87675 0.86606 1.00000
Rh3 Rh 0.75000 0.62325 0.36606 1.00000
Rh4 Rh 0.25000 0.37675 0.63394 1.00000
