Pm6HgTe3Pb2
Alexandria ALEXAlex-ID: agm004615236 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_205_spg12
Pm5HgPb3 Pm3Hg4 Pm3Te2Pb PmHg
2022-06-30 07:00:42.216879
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004615236).
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 agm004615236
data_agm004615236
_cell_length_a 4.47820
_cell_length_b 9.05861
_cell_length_c 10.20260
_cell_angle_alpha 107.03392
_cell_angle_beta 102.67753
_cell_angle_gamma 90.00000
_cell_volume 385.15895
_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 0.33398 0.92117 0.66796 1.00000
Pm2 Pm 0.66849 0.57499 0.33698 1.00000
Pm3 Pm 0.66602 0.07883 0.33204 1.00000
Pm4 Pm 0.99696 0.25049 0.99393 1.00000
Pm5 Pm 0.00304 0.74951 0.00607 1.00000
Pm6 Pm 0.33151 0.42501 0.66302 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.50000 0.50000 0.00000 1.00000
Te2 Te 0.83114 0.17122 0.66229 1.00000
Te3 Te 0.16886 0.82878 0.33771 1.00000
Pb1 Pb 0.83736 0.67703 0.67473 1.00000
Pb2 Pb 0.16264 0.32297 0.32527 1.00000
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