Nd4MgTl3
Alexandria ALEXAlex-ID: agm005961797 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_344_spg139
Nd5Tl3 NdMgTl NdTl
2023-09-30 00:46:51.456545
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961797).
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 agm005961797
data_agm005961797
_cell_length_a 5.47757
_cell_length_b 5.47707
_cell_length_c 8.81118
_cell_angle_alpha 108.13376
_cell_angle_beta 108.10932
_cell_angle_gamma 90.00000
_cell_volume 237.39760
_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
Mg1 Mg 0.50000 0.00000 0.00000 1.00000
Nd1 Nd 0.37532 0.37519 0.75065 1.00000
Nd2 Nd 0.62468 0.62481 0.24935 1.00000
Nd3 Nd 0.12467 0.12477 0.24935 1.00000
Nd4 Nd 0.87533 0.87523 0.75065 1.00000
Tl1 Tl 0.00000 0.50000 0.00000 1.00000
Tl2 Tl 0.74666 0.24679 0.49332 1.00000
Tl3 Tl 0.25334 0.75321 0.50668 1.00000
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