Cs6Hg3Pd
Alexandria ALEXAlex-ID: agm005991483 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_323_spg11
Cs2Hg Cs2HgPd2
2023-09-20 00:03:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991483).
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 agm005991483
data_agm005991483
_cell_length_a 5.27244
_cell_length_b 14.04567
_cell_length_c 17.19286
_cell_angle_alpha 113.76084
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1165.29143
_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 0.48776 0.61849 1.00000
Cs2 Cs 0.25000 0.51224 0.38151 1.00000
Cs3 Cs 0.75000 0.84702 0.11464 1.00000
Cs4 Cs 0.25000 0.15298 0.88536 1.00000
Cs5 Cs 0.75000 0.43169 0.09153 1.00000
Cs6 Cs 0.25000 0.56831 0.90847 1.00000
Cs7 Cs 0.75000 0.76305 0.33490 1.00000
Cs8 Cs 0.25000 0.23695 0.66510 1.00000
Cs9 Cs 0.75000 0.07512 0.40614 1.00000
Cs10 Cs 0.25000 0.92488 0.59386 1.00000
Cs11 Cs 0.75000 0.85440 0.79168 1.00000
Cs12 Cs 0.25000 0.14560 0.20832 1.00000
Hg1 Hg 0.75000 0.32183 0.83478 1.00000
Hg2 Hg 0.25000 0.67817 0.16522 1.00000
Hg3 Hg 0.75000 0.70275 0.53806 1.00000
Hg4 Hg 0.25000 0.29725 0.46194 1.00000
Hg5 Hg 0.75000 0.07009 0.02333 1.00000
Hg6 Hg 0.25000 0.92991 0.97667 1.00000
Pd1 Pd 0.75000 0.11094 0.72697 1.00000
Pd2 Pd 0.25000 0.88906 0.27303 1.00000
