Ca2LaHg2
Alexandria ALEXAlex-ID: agm034395190 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_27_spg139
CaLaHg2 Ca2Hg La
2025-04-15 23:43:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034395190).
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 agm034395190
data_agm034395190
_cell_length_a 10.95371
_cell_length_b 10.95371
_cell_length_c 10.95371
_cell_angle_alpha 159.88106
_cell_angle_beta 159.88106
_cell_angle_gamma 28.60261
_cell_volume 155.42131
_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
Ca1 Ca 0.81912 0.81912 0.00000 1.00000
Ca2 Ca 0.18088 0.18088 0.00000 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.59822 0.59822 0.00000 1.00000
Hg2 Hg 0.40178 0.40178 0.00000 1.00000
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