Y3(Hg2Pd)2
Alexandria ALEXAlex-ID: agm005686200 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_422_spg15
YHg3 Y3Hg3Pd2 YHgPd
2023-06-29 06:44:40.083320
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686200).
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 agm005686200
data_agm005686200
_cell_length_a 5.29599
_cell_length_b 9.03711
_cell_length_c 9.03711
_cell_angle_alpha 76.02570
_cell_angle_beta 81.90279
_cell_angle_gamma 81.90280
_cell_volume 412.95793
_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
Y1 Y 0.08422 0.96764 0.69752 1.00000
Y2 Y 0.41578 0.30248 0.03236 1.00000
Y3 Y 0.91578 0.03236 0.30248 1.00000
Y4 Y 0.58422 0.69752 0.96764 1.00000
Y5 Y 0.25000 0.39043 0.60957 1.00000
Y6 Y 0.75000 0.60957 0.39043 1.00000
Hg1 Hg 0.53140 0.07805 0.80676 1.00000
Hg2 Hg 0.96860 0.19324 0.92195 1.00000
Hg3 Hg 0.46860 0.92195 0.19324 1.00000
Hg4 Hg 0.03140 0.80676 0.07805 1.00000
Hg5 Hg 0.63998 0.82734 0.60425 1.00000
Hg6 Hg 0.86002 0.39575 0.17266 1.00000
Hg7 Hg 0.36002 0.17266 0.39575 1.00000
Hg8 Hg 0.13998 0.60425 0.82734 1.00000
Pd1 Pd 0.18768 0.73930 0.48290 1.00000
Pd2 Pd 0.31232 0.51710 0.26070 1.00000
Pd3 Pd 0.81232 0.26070 0.51710 1.00000
Pd4 Pd 0.68768 0.48290 0.73930 1.00000
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