PmHg5Cl3
Alexandria ALEXAlex-ID: agm072591013 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1504_spg8
Hg PmCl3
2024-09-24 03:40:31.665347
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072591013).
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 agm072591013
data_agm072591013
_cell_length_a 3.75316
_cell_length_b 5.98576
_cell_length_c 15.29209
_cell_angle_alpha 67.51026
_cell_angle_beta 96.93123
_cell_angle_gamma 108.22932
_cell_volume 301.48715
_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 0.01357 0.08758 0.05592 1.00000
Hg1 Hg 0.43089 0.41287 0.55467 1.00000
Hg2 Hg 0.14140 0.71666 0.67648 1.00000
Hg3 Hg 0.87127 0.50063 0.35010 1.00000
Hg4 Hg 0.86487 0.07865 0.75808 1.00000
Hg5 Hg 0.15513 0.97686 0.43730 1.00000
Cl1 Cl 0.33417 0.72852 0.05562 1.00000
Cl2 Cl 0.59362 0.37147 0.93069 1.00000
Cl3 Cl 0.59507 0.12672 0.18114 1.00000
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