La2Pr7NdTl2
Alexandria ALEXAlex-ID: agm004593685 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_180_spg65
PrNd2 Pr5Tl3 La5Tl3 Pr
2022-06-25 13:51:42.256321
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004593685).
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 agm004593685
data_agm004593685
_cell_length_a 6.27016
_cell_length_b 6.27016
_cell_length_c 15.46050
_cell_angle_alpha 56.42134
_cell_angle_beta 56.42133
_cell_angle_gamma 68.66997
_cell_volume 420.42666
_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 0.85131 0.85131 0.64868 1.00000
La2 La 0.14869 0.14869 0.35132 1.00000
Pr1 Pr 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.31194 0.31194 0.49998 1.00000
Pr3 Pr 0.68806 0.68806 0.50002 1.00000
Pr4 Pr 0.83106 0.33108 0.16892 1.00000
Pr5 Pr 0.33108 0.83106 0.16892 1.00000
Pr6 Pr 0.66892 0.16894 0.83108 1.00000
Pr7 Pr 0.16894 0.66892 0.83108 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.72343 0.72343 0.27661 1.00000
Tl2 Tl 0.27657 0.27657 0.72339 1.00000
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