Pm3HgOs
Alexandria ALEXAlex-ID: agm005803165 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6933_spg2
Pm5Os2 Pm5Hg2Os PmOs2
2023-07-05 10:09:51.272238
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803165).
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 agm005803165
data_agm005803165
_cell_length_a 6.04316
_cell_length_b 6.04315
_cell_length_c 8.72732
_cell_angle_alpha 102.11774
_cell_angle_beta 102.11713
_cell_angle_gamma 113.18449
_cell_volume 270.85132
_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 0.30081 0.80082 0.10163 1.00000
Pm2 Pm 0.69919 0.19918 0.89837 1.00000
Pm3 Pm 0.08084 0.20027 0.28111 1.00000
Pm4 Pm 0.91916 0.79973 0.71889 1.00000
Pm5 Pm 0.70026 0.58085 0.28112 1.00000
Pm6 Pm 0.29974 0.41915 0.71888 1.00000
Hg1 Hg 0.71207 0.21207 0.50000 1.00000
Hg2 Hg 0.28793 0.78793 0.50000 1.00000
Os1 Os 0.25000 0.25000 0.00000 1.00000
Os2 Os 0.75000 0.75000 1.00000 1.00000
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