Pm2HgC2
Alexandria ALEXAlex-ID: agm005874569 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1473_spg15
Pm2HgC2
2023-08-03 13:04:59.593678
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874569).
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 agm005874569
data_agm005874569
_cell_length_a 4.10309
_cell_length_b 6.93763
_cell_length_c 8.35831
_cell_angle_alpha 114.23180
_cell_angle_beta 104.20844
_cell_angle_gamma 89.99999
_cell_volume 208.95529
_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 0.51869 0.40764 0.69477 1.00000
Pm2 Pm 0.17609 0.90764 0.69477 1.00000
Pm3 Pm 0.48131 0.59236 0.30523 1.00000
Pm4 Pm 0.82391 0.09236 0.30523 1.00000
Hg1 Hg 0.12307 0.75000 0.00000 1.00000
Hg2 Hg 0.87693 0.25000 1.00000 1.00000
C1 C 0.35572 0.01563 0.45001 1.00000
C2 C 0.90571 0.48437 0.54999 1.00000
C3 C 0.64428 0.98437 0.54999 1.00000
C4 C 0.09429 0.51563 0.45001 1.00000
Get direct link