La2Pr4Pb3N2
Alexandria ALEXAlex-ID: agm004490992 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_39_spg139
La3PbN Pr5Pb3N La3Pb2N PrN
2022-06-18 03:13:56.195502
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004490992).
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 agm004490992
data_agm004490992
_cell_length_a 4.98613
_cell_length_b 4.98613
_cell_length_c 13.72160
_cell_angle_alpha 100.46815
_cell_angle_beta 100.46815
_cell_angle_gamma 90.00000
_cell_volume 329.68534
_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 0.30834 0.30834 0.61669 1.00000
La2 La 0.69166 0.69166 0.38331 1.00000
Pr1 Pr 0.41607 0.91607 0.83213 1.00000
Pr2 Pr 0.91607 0.41607 0.83213 1.00000
Pr3 Pr 0.08393 0.58393 0.16787 1.00000
Pr4 Pr 0.58393 0.08393 0.16787 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.17590 0.17590 0.35180 1.00000
Pb3 Pb 0.82410 0.82410 0.64820 1.00000
N1 N 0.39523 0.39523 0.79046 1.00000
N2 N 0.60477 0.60477 0.20954 1.00000
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