Pr6NdTl4
Alexandria ALEXAlex-ID: agm003662404 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_23_spg121
Nd5Tl3 Pr5Tl3 Nd
2022-04-08 12:47:13.446633
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662404).
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 agm003662404
data_agm003662404
_cell_length_a 8.33847
_cell_length_b 8.33847
_cell_length_c 8.33847
_cell_angle_alpha 86.46301
_cell_angle_beta 122.06267
_cell_angle_gamma 122.06267
_cell_volume 396.35929
_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
Pr1 Pr 1.00000 0.90444 0.52831 1.00000
Pr2 Pr 1.00000 0.52831 0.90444 1.00000
Pr3 Pr 0.62386 0.09556 0.09556 1.00000
Pr4 Pr 0.50000 0.00000 0.50000 1.00000
Pr5 Pr 0.37614 0.47169 0.47169 1.00000
Pr6 Pr 0.50000 0.50000 0.00000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 1.00000 0.26687 0.59652 1.00000
Tl2 Tl 0.67035 0.40348 0.40348 1.00000
Tl3 Tl 1.00000 0.59652 0.26687 1.00000
Tl4 Tl 0.32965 0.73313 0.73313 1.00000
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