Nd3(ErTl2)2
Alexandria ALEXAlex-ID: agm005667907 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1192_spg164
Nd2Er3Tl4 Nd5Tl3 NdTl
2023-06-27 11:49:14.808051
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667907).
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 agm005667907
data_agm005667907
_cell_length_a 5.38295
_cell_length_b 5.38468
_cell_length_c 10.49985
_cell_angle_alpha 89.96775
_cell_angle_beta 89.99806
_cell_angle_gamma 60.01200
_cell_volume 263.60054
_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 0.33326 0.33350 0.42021 1.00000
Nd2 Nd 0.00000 0.00000 0.00000 1.00000
Nd3 Nd 0.66674 0.66650 0.57979 1.00000
Er1 Er 0.33349 0.33299 0.77868 1.00000
Er2 Er 0.66651 0.66701 0.22132 1.00000
Tl1 Tl 0.66677 0.66644 0.89832 1.00000
Tl2 Tl 0.99990 0.00023 0.34175 1.00000
Tl3 Tl 0.00010 0.99977 0.65825 1.00000
Tl4 Tl 0.33323 0.33356 0.10168 1.00000
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