Ce6FePb2N
Alexandria ALEXAlex-ID: agm004933546 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1_spg225
Ce3PbN Ce3FePb
2022-07-29 03:02:06.972189
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004933546).
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 agm004933546
data_agm004933546
_cell_length_a 7.04037
_cell_length_b 7.04031
_cell_length_c 7.20084
_cell_angle_alpha 60.71558
_cell_angle_beta 60.71527
_cell_angle_gamma 89.96417
_cell_volume 257.81520
_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
Ce1 Ce 0.23271 0.23271 0.53463 1.00000
Ce2 Ce 0.75366 0.75361 0.99996 1.00000
Ce3 Ce 0.24664 0.75344 0.00000 1.00000
Ce4 Ce 0.75336 0.24656 0.00000 1.00000
Ce5 Ce 0.24634 0.24638 0.00004 1.00000
Ce6 Ce 0.76729 0.76729 0.46537 1.00000
Fe1 Fe 0.50000 0.50000 0.00000 1.00000
Pb1 Pb 0.75002 0.24999 0.49998 1.00000
Pb2 Pb 0.24998 0.75001 0.50001 1.00000
N1 N 1.00000 1.00000 0.00000 1.00000
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