La2PrNd7Tl2
Alexandria ALEXAlex-ID: agm004593686 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_180_spg65
Pr5Tl3 Nd5Tl3 La5Tl3 Nd
2022-06-25 14:01:18.007841
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004593686).
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 agm004593686
data_agm004593686
_cell_length_a 6.24724
_cell_length_b 6.24726
_cell_length_c 15.38051
_cell_angle_alpha 56.39422
_cell_angle_beta 56.39432
_cell_angle_gamma 68.74485
_cell_volume 415.01994
_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
La1 La 0.85119 0.85118 0.64881 1.00000
La2 La 0.14881 0.14882 0.35119 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.31082 0.31082 0.50003 1.00000
Nd3 Nd 0.68918 0.68918 0.49997 1.00000
Nd4 Nd 0.82954 0.32953 0.17044 1.00000
Nd5 Nd 0.32953 0.82954 0.17044 1.00000
Nd6 Nd 0.67047 0.17046 0.82956 1.00000
Nd7 Nd 0.17046 0.67047 0.82956 1.00000
Tl1 Tl 0.72167 0.72167 0.27829 1.00000
Tl2 Tl 0.27833 0.27833 0.72171 1.00000
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