Er3PbSe2
Alexandria ALEXAlex-ID: agm005646524 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4_spg71
Er5Pb3Se Er5Se6 Pb
2023-08-29 21:46:22.815025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646524).
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 agm005646524
data_agm005646524
_cell_length_a 4.19473
_cell_length_b 5.92590
_cell_length_c 7.21237
_cell_angle_alpha 114.25607
_cell_angle_beta 106.91315
_cell_angle_gamma 89.99999
_cell_volume 154.90984
_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
Er1 Er 0.50000 0.50000 0.00000 1.00000
Er2 Er 0.17412 0.17434 0.34868 1.00000
Er3 Er 0.82588 0.82566 0.65132 1.00000
Pb1 Pb 0.50000 0.00000 0.00000 1.00000
Se1 Se 0.16440 0.66467 0.32935 1.00000
Se2 Se 0.83560 0.33533 0.67065 1.00000
