Nd2TmTl3
Alexandria ALEXAlex-ID: agm017143988 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2251_spg2
Nd3Tl5 Nd2Tm3Tl4 NdTl
2025-04-14 04:17:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017143988).
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 agm017143988
data_agm017143988
_cell_length_a 9.44759
_cell_length_b 9.44759
_cell_length_c 9.44759
_cell_angle_alpha 146.37650
_cell_angle_beta 132.01351
_cell_angle_gamma 59.86759
_cell_volume 343.78096
_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 0.91856 0.16856 0.75000 1.00000
Nd2 Nd 0.24457 0.49457 0.75000 1.00000
Nd3 Nd 0.08144 0.83144 0.25000 1.00000
Nd4 Nd 0.75543 0.50543 0.25000 1.00000
Tm1 Tm 0.58804 0.83804 0.75000 1.00000
Tm2 Tm 0.41196 0.16196 0.25000 1.00000
Tl1 Tl 0.65204 0.67024 0.98179 1.00000
Tl2 Tl 0.81155 0.32976 0.48179 1.00000
Tl3 Tl 0.00000 0.00000 0.00000 1.00000
Tl4 Tl 0.34796 0.32976 0.01821 1.00000
Tl5 Tl 0.50000 0.00000 0.50000 1.00000
Tl6 Tl 0.18845 0.67024 0.51821 1.00000
Get direct link