Zr4Cd3Hg4
Alexandria ALEXAlex-ID: agm005705042 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_146_spg12
Zr2Cd5Hg Hg ZrHg
2023-06-30 00:15:31.388235
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705042).
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 agm005705042
data_agm005705042
_cell_length_a 3.13804
_cell_length_b 8.23062
_cell_length_c 10.92384
_cell_angle_alpha 112.16926
_cell_angle_beta 98.25812
_cell_angle_gamma 89.99999
_cell_volume 258.12180
_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
Zr1 Zr 0.74420 0.24409 0.48840 1.00000
Zr2 Zr 0.25580 0.75591 0.51160 1.00000
Zr3 Zr 0.49994 0.81828 0.99987 1.00000
Zr4 Zr 0.50006 0.18172 0.00013 1.00000
Cd1 Cd 0.89058 0.89063 0.78115 1.00000
Cd2 Cd 0.10942 0.10937 0.21885 1.00000
Cd3 Cd 0.00000 0.50000 0.00000 1.00000
Hg1 Hg 0.65387 0.45824 0.30775 1.00000
Hg2 Hg 0.34626 0.15085 0.69253 1.00000
Hg3 Hg 0.34613 0.54176 0.69225 1.00000
Hg4 Hg 0.65374 0.84915 0.30747 1.00000
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