La4NdPb
Alexandria ALEXAlex-ID: agm005887239 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1401_spg38
LaNd La3Pb
2023-07-28 18:19:28.990641
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005887239).
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 agm005887239
data_agm005887239
_cell_length_a 5.01881
_cell_length_b 5.02011
_cell_length_c 8.49009
_cell_angle_alpha 89.99999
_cell_angle_beta 107.19165
_cell_angle_gamma 90.00000
_cell_volume 204.35059
_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 0.33787 0.00000 0.67575 1.00000
La2 La 0.66213 1.00000 0.32425 1.00000
La3 La 0.84290 0.50000 0.68581 1.00000
La4 La 0.15710 0.50000 0.31419 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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