Er6CuHg3Ru2
Alexandria ALEXAlex-ID: agm054120908 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Er8CuHg4Ru3 ErHg ErCu
2024-11-01 18:12:48.575308
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm054120908).
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 agm054120908
data_agm054120908
_cell_length_a 7.73497
_cell_length_b 7.73497
_cell_length_c 8.92280
_cell_angle_alpha 58.64568
_cell_angle_beta 58.64568
_cell_angle_gamma 37.05400
_cell_volume 268.91631
_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
Er1 Er 0.59722 0.59722 0.21921 1.00000
Er2 Er 0.74259 0.74259 0.78022 1.00000
Er3 Er 0.40278 0.40278 0.78079 1.00000
Er4 Er 0.92611 0.92611 0.22183 1.00000
Er5 Er 0.25741 0.25741 0.21978 1.00000
Er6 Er 0.07389 0.07389 0.77817 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Hg1 Hg 0.33724 0.33724 0.49037 1.00000
Hg2 Hg 0.66276 0.66276 0.50963 1.00000
Hg3 Hg 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.16522 0.16522 0.99921 1.00000
Ru2 Ru 0.83478 0.83478 0.00079 1.00000
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