Er4CdHg7
Alexandria ALEXAlex-ID: agm003666043 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_87_spg12
Er2CdHg3 ErHg3 Er3Hg5
2022-04-08 18:12:44.008132
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666043).
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 agm003666043
data_agm003666043
_cell_length_a 5.33417
_cell_length_b 9.61104
_cell_length_c 6.96048
_cell_angle_alpha 78.93520
_cell_angle_beta 67.46948
_cell_angle_gamma 73.88881
_cell_volume 315.18525
_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 0.58025 0.22372 0.61578 1.00000
Er2 Er 0.41975 0.77628 0.38422 1.00000
Er3 Er 0.73506 0.68105 0.84883 1.00000
Er4 Er 0.26494 0.31895 0.15117 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.80155 0.91592 0.48098 1.00000
Hg2 Hg 0.19845 0.08408 0.51902 1.00000
Hg3 Hg 0.07285 0.65509 0.19920 1.00000
Hg4 Hg 0.92715 0.34491 0.80080 1.00000
Hg5 Hg 0.36010 0.53675 0.74305 1.00000
Hg6 Hg 0.50000 0.00000 0.00000 1.00000
Hg7 Hg 0.63990 0.46325 0.25695 1.00000
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