Cs4Hg2O
Alexandria ALEXAlex-ID: agm005995358 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2644_spg12
CsHg2 Cs3O
2023-10-19 17:25:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995358).
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 agm005995358
data_agm005995358
_cell_length_a 4.58378
_cell_length_b 7.86431
_cell_length_c 9.43645
_cell_angle_alpha 90.82507
_cell_angle_beta 104.05638
_cell_angle_gamma 90.00001
_cell_volume 329.94558
_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 0.14480 0.87257 0.28960 1.00000
Cs2 Cs 0.85520 0.12743 0.71040 1.00000
Cs3 Cs 0.45686 0.76802 0.91372 1.00000
Cs4 Cs 0.54314 0.23198 0.08628 1.00000
Hg1 Hg 0.21757 0.39126 0.43515 1.00000
Hg2 Hg 0.78243 0.60874 0.56485 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
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