Pm3(YPb2)2
Alexandria ALEXAlex-ID: agm005691081 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_360_spg12
Pm2Y3Pb4 Pm5Pb4
2023-06-29 06:41:57.720571
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691081).
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 agm005691081
data_agm005691081
_cell_length_a 5.09064
_cell_length_b 6.87979
_cell_length_c 8.67609
_cell_angle_alpha 104.45814
_cell_angle_beta 107.05885
_cell_angle_gamma 89.99886
_cell_volume 280.40915
_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
Pm1 Pm 0.11671 0.58027 0.23346 1.00000
Pm2 Pm 0.88329 0.41973 0.76654 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.66739 0.07552 0.33479 1.00000
Y2 Y 0.33261 0.92448 0.66521 1.00000
Pb1 Pb 0.49338 0.71675 0.98676 1.00000
Pb2 Pb 0.24614 0.29150 0.49231 1.00000
Pb3 Pb 0.50662 0.28325 0.01324 1.00000
Pb4 Pb 0.75386 0.70850 0.50769 1.00000
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