Pm2GaHg4
Alexandria ALEXAlex-ID: agm006012249 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_27_spg166
PmHg2 PmHg3 PmGa2
2023-09-24 19:18:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006012249).
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
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# CIF generated by HEAS from Alexandria entry agm006012249
data_agm006012249
_cell_length_a 5.26051
_cell_length_b 5.26051
_cell_length_c 7.97733
_cell_angle_alpha 70.74848
_cell_angle_beta 70.74848
_cell_angle_gamma 60.00001
_cell_volume 176.78255
_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
Hg1 Hg 0.86711 0.86711 0.39865 1.00000
Hg2 Hg 0.13289 0.13289 0.60135 1.00000
Hg3 Hg 0.57211 0.57211 0.28366 1.00000
Hg4 Hg 0.42789 0.42789 0.71634 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.72139 0.72139 0.83584 1.00000
Pm2 Pm 0.27861 0.27861 0.16416 1.00000
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