Er3Hg7
Alexandria ALEXAlex-ID: agm003291301 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B7_0_spg12
ErHg3 Er3Hg5
2022-01-16 21:36:42.254757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003291301).
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 agm003291301
data_agm003291301
_cell_length_a 4.85979
_cell_length_b 6.38338
_cell_length_c 8.54604
_cell_angle_alpha 107.55240
_cell_angle_beta 106.51879
_cell_angle_gamma 90.00000
_cell_volume 241.26964
_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 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.80028 0.35502 0.60057 1.00000
Er3 Er 0.19972 0.64498 0.39943 1.00000
Hg1 Hg 0.00000 0.50000 0.00000 1.00000
Hg2 Hg 0.80263 0.86013 0.60526 1.00000
Hg3 Hg 0.19737 0.13987 0.39474 1.00000
Hg4 Hg 0.60127 0.34269 0.20254 1.00000
Hg5 Hg 0.39873 0.65731 0.79746 1.00000
Hg6 Hg 0.60264 0.84836 0.20528 1.00000
Hg7 Hg 0.39736 0.15164 0.79472 1.00000
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