LiPm7Pb4
Alexandria ALEXAlex-ID: agm003667656 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_87_spg12
Pm5Pb3 LiPmPb Pm
2022-04-20 10:38:38.207803
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667656).
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 agm003667656
data_agm003667656
_cell_length_a 5.61991
_cell_length_b 9.56353
_cell_length_c 8.24174
_cell_angle_alpha 79.94144
_cell_angle_beta 70.06570
_cell_angle_gamma 72.91320
_cell_volume 396.67166
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.79121 0.86565 0.55192 1.00000
Pm2 Pm 0.20879 0.13435 0.44808 1.00000
Pm3 Pm 0.08101 0.67800 0.15998 1.00000
Pm4 Pm 0.91899 0.32200 0.84002 1.00000
Pm5 Pm 0.35128 0.57480 0.72264 1.00000
Pm6 Pm 0.50000 0.00000 0.00000 1.00000
Pm7 Pm 0.64872 0.42520 0.27736 1.00000
Pb1 Pb 0.57610 0.21599 0.63181 1.00000
Pb2 Pb 0.42390 0.78401 0.36819 1.00000
Pb3 Pb 0.71352 0.66461 0.90835 1.00000
Pb4 Pb 0.28648 0.33539 0.09165 1.00000
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