Nd6TmTl4
Alexandria ALEXAlex-ID: agm003662407 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_73_spg8
NdTm15 Nd2Tm3Tl4 Nd5Tl3
2022-04-08 12:38:11.196626
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662407).
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 agm003662407
data_agm003662407
_cell_length_a 9.65068
_cell_length_b 9.65068
_cell_length_c 9.65068
_cell_angle_alpha 57.96396
_cell_angle_beta 139.92713
_cell_angle_gamma 139.92713
_cell_volume 369.18853
_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 1.00000 0.91566 0.44083 1.00000
Nd2 Nd 1.00000 0.44083 0.91566 1.00000
Nd3 Nd 0.52517 0.08434 0.08434 1.00000
Nd4 Nd 0.50000 0.00000 0.50000 1.00000
Nd5 Nd 0.47483 0.55917 0.55917 1.00000
Nd6 Nd 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.00000 0.10802 0.62484 1.00000
Tl2 Tl 0.48318 0.37516 0.37516 1.00000
Tl3 Tl 0.00000 0.62484 0.10802 1.00000
Tl4 Tl 0.51682 0.89198 0.89198 1.00000
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