Er2HgH8
Alexandria ALEXAlex-ID: agm006654259 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_443_spg12
HgH4 ErH3 Hg
2025-04-29 18:13:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006654259).
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 agm006654259
data_agm006654259
_cell_length_a 3.59366
_cell_length_b 5.17868
_cell_length_c 6.73404
_cell_angle_alpha 67.51856
_cell_angle_beta 74.58907
_cell_angle_gamma 89.99114
_cell_volume 110.90888
_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 0.69522 0.69975 0.60998 1.00000
Er2 Er 0.30478 0.30025 0.39002 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
H1 H 0.16768 0.43976 0.66524 1.00000
H2 H 0.50032 0.66679 0.99976 1.00000
H3 H 0.68847 0.17517 0.62306 1.00000
H4 H 0.83678 0.10759 0.32580 1.00000
H5 H 0.16322 0.89241 0.67420 1.00000
H6 H 0.31153 0.82483 0.37694 1.00000
H7 H 0.49968 0.33321 0.00024 1.00000
H8 H 0.83232 0.56024 0.33476 1.00000
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