Cs2HgH
Alexandria ALEXAlex-ID: agm005756541 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_434_spg63
CsHg CsH
2023-07-10 01:56:02.791248
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756541).
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 agm005756541
data_agm005756541
_cell_length_a 5.04896
_cell_length_b 4.92644
_cell_length_c 14.05670
_cell_angle_alpha 100.09231
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 344.22807
_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
Cs1 Cs 0.75000 0.69400 0.38801 1.00000
Cs2 Cs 0.25000 0.30600 0.61199 1.00000
Cs3 Cs 0.75000 0.91790 0.83579 1.00000
Cs4 Cs 0.25000 0.08210 0.16421 1.00000
Hg1 Hg 0.25000 0.46909 0.93819 1.00000
Hg2 Hg 0.75000 0.53091 0.06181 1.00000
H1 H 0.25000 0.19768 0.39536 1.00000
H2 H 0.75000 0.80232 0.60464 1.00000
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