La6HgRu2
Alexandria ALEXAlex-ID: agm005662939 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_776_spg12
La23Hg4Ru7 La7Ru3 La5HgRu2
2023-07-09 08:16:55.965087
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005662939).
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 agm005662939
data_agm005662939
_cell_length_a 6.53025
_cell_length_b 9.69713
_cell_length_c 9.69714
_cell_angle_alpha 66.65239
_cell_angle_beta 76.81625
_cell_angle_gamma 76.81625
_cell_volume 542.37675
_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
La1 La 0.32911 0.67501 0.53968 1.00000
La2 La 0.17089 0.46032 0.32499 1.00000
La3 La 0.67089 0.32499 0.46032 1.00000
La4 La 0.82911 0.53968 0.67501 1.00000
La5 La 0.78508 0.94446 0.44417 1.00000
La6 La 0.71492 0.55583 0.05554 1.00000
La7 La 0.21492 0.05554 0.55583 1.00000
La8 La 0.28508 0.44417 0.94446 1.00000
La9 La 0.17025 0.82474 0.96122 1.00000
La10 La 0.32975 0.03878 0.17526 1.00000
La11 La 0.82975 0.17526 0.03878 1.00000
La12 La 0.67025 0.96122 0.82474 1.00000
Hg1 Hg 0.25000 0.25092 0.74908 1.00000
Hg2 Hg 0.75000 0.74908 0.25092 1.00000
Ru1 Ru 0.99981 0.74373 0.75678 1.00000
Ru2 Ru 0.50019 0.24322 0.25627 1.00000
Ru3 Ru 0.00019 0.25627 0.24322 1.00000
Ru4 Ru 0.49981 0.75678 0.74373 1.00000
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