Er4Cd2Hg
Alexandria ALEXAlex-ID: agm005991908 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_752_spg166
Er2Hg ErCd
2023-09-05 19:55:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991908).
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 agm005991908
data_agm005991908
_cell_length_a 5.17720
_cell_length_b 5.17720
_cell_length_c 8.88847
_cell_angle_alpha 73.06833
_cell_angle_beta 73.06834
_cell_angle_gamma 60.00000
_cell_volume 194.30655
_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
Cd1 Cd 0.74968 0.74968 0.75096 1.00000
Cd2 Cd 0.25032 0.25032 0.24904 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.87218 0.87218 0.38347 1.00000
Er2 Er 0.12782 0.12782 0.61653 1.00000
Er3 Er 0.62005 0.62005 0.13986 1.00000
Er4 Er 0.37995 0.37995 0.86014 1.00000
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