La4Pm2Pb3Cl2
Alexandria ALEXAlex-ID: agm004490987 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_0_spg139
Pm5Pb3 LaCl3 La5Pb3Cl Pm
2022-06-17 20:22:21.623966
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004490987).
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 agm004490987
data_agm004490987
_cell_length_a 5.46184
_cell_length_b 5.46184
_cell_length_c 13.04100
_cell_angle_alpha 102.08779
_cell_angle_beta 102.08779
_cell_angle_gamma 90.00000
_cell_volume 371.58312
_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 0.41279 0.91280 0.82559 1.00000
La2 La 0.91279 0.41280 0.82559 1.00000
La3 La 0.08721 0.58720 0.17441 1.00000
La4 La 0.58721 0.08720 0.17441 1.00000
Pm1 Pm 0.30121 0.30121 0.60243 1.00000
Pm2 Pm 0.69879 0.69879 0.39757 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
Pb2 Pb 0.17386 0.17386 0.34772 1.00000
Pb3 Pb 0.82614 0.82614 0.65228 1.00000
Cl1 Cl 0.42328 0.42328 0.84655 1.00000
Cl2 Cl 0.57672 0.57672 0.15345 1.00000
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