La4Sm2Hg
Alexandria ALEXAlex-ID: agm003463683 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_903_spg12
LaSm La2Hg
2022-02-17 21:19:07.829418
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003463683).
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 agm003463683
data_agm003463683
_cell_length_a 3.64454
_cell_length_b 8.76729
_cell_length_c 8.67362
_cell_angle_alpha 116.69589
_cell_angle_beta 102.12782
_cell_angle_gamma 90.00000
_cell_volume 240.65929
_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 0.91672 0.29975 0.83345 1.00000
La2 La 0.08328 0.70025 0.16655 1.00000
La3 La 0.62698 0.37768 0.25397 1.00000
La4 La 0.37302 0.62232 0.74603 1.00000
Sm1 Sm 0.78442 0.86142 0.56884 1.00000
Sm2 Sm 0.21558 0.13858 0.43116 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
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