La3(Zr2Hg)2
Alexandria ALEXAlex-ID: agm012273409 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_445_spg71
La2Hg Zr LaHg
2024-06-02 07:06:12.252203
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012273409).
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 agm012273409
data_agm012273409
_cell_length_a 8.61381
_cell_length_b 8.61381
_cell_length_c 8.64076
_cell_angle_alpha 69.09985
_cell_angle_beta 69.09985
_cell_angle_gamma 24.32007
_cell_volume 245.82792
_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 0.60395 0.60395 0.32771 1.00000
La2 La 0.50000 0.50000 0.00000 1.00000
La3 La 0.39605 0.39605 0.67229 1.00000
Zr1 Zr 0.81141 0.81141 0.04294 1.00000
Zr2 Zr 0.18859 0.18859 0.95706 1.00000
Zr3 Zr 0.27830 0.27830 0.34416 1.00000
Zr4 Zr 0.72170 0.72170 0.65584 1.00000
Hg1 Hg 0.07839 0.07839 0.66246 1.00000
Hg2 Hg 0.92161 0.92161 0.33754 1.00000
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