Pm5Hg2O
Alexandria ALEXAlex-ID: agm006010101 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_16_spg62
Pm2Hg Pm3HgO
2023-09-03 15:07:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010101).
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 agm006010101
data_agm006010101
_cell_length_a 6.84875
_cell_length_b 8.92912
_cell_length_c 14.12101
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00002
_cell_angle_gamma 90.00000
_cell_volume 863.54663
_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 0.75000 0.73198 0.12423 1.00000
Pm2 Pm 0.25000 0.26802 0.87577 1.00000
Pm3 Pm 0.25000 0.76802 0.62423 1.00000
Pm4 Pm 0.75000 0.23198 0.37577 1.00000
Pm5 Pm 0.49976 0.63368 0.89846 1.00000
Pm6 Pm 0.50024 0.36632 0.10154 1.00000
Pm7 Pm 0.50024 0.86632 0.39846 1.00000
Pm8 Pm 0.99976 0.36632 0.10154 1.00000
Pm9 Pm 0.49976 0.13368 0.60154 1.00000
Pm10 Pm 0.00024 0.63368 0.89846 1.00000
Pm11 Pm 0.00024 0.13368 0.60154 1.00000
Pm12 Pm 0.99976 0.86632 0.39846 1.00000
Pm13 Pm 0.50000 0.00000 0.00000 1.00000
Pm14 Pm 0.50000 0.50000 0.50000 1.00000
Pm15 Pm 0.00000 0.00000 0.00000 1.00000
Pm16 Pm 0.00000 0.50000 0.50000 1.00000
Pm17 Pm 0.75000 0.94042 0.78916 1.00000
Pm18 Pm 0.25000 0.05958 0.21084 1.00000
Pm19 Pm 0.25000 0.55958 0.28916 1.00000
Pm20 Pm 0.75000 0.44042 0.71084 1.00000
Hg1 Hg 0.75000 0.56220 0.30935 1.00000
Hg2 Hg 0.25000 0.43780 0.69065 1.00000
Hg3 Hg 0.25000 0.93780 0.80935 1.00000
Hg4 Hg 0.75000 0.06220 0.19065 1.00000
Hg5 Hg 0.75000 0.78812 0.59021 1.00000
Hg6 Hg 0.25000 0.21188 0.40979 1.00000
Hg7 Hg 0.25000 0.71188 0.09021 1.00000
Hg8 Hg 0.75000 0.28812 0.90979 1.00000
O1 O 0.75000 0.81341 0.95154 1.00000
O2 O 0.25000 0.18659 0.04846 1.00000
O3 O 0.25000 0.68659 0.45154 1.00000
O4 O 0.75000 0.31341 0.54846 1.00000
