Ca7Mg2Hg3
Alexandria ALEXAlex-ID: agm101768041 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_696_spg8
Ca2Hg CaMg2
2025-05-17 01:01:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101768041).
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 agm101768041
data_agm101768041
_cell_length_a 6.33605
_cell_length_b 6.68878
_cell_length_c 10.93328
_cell_angle_alpha 89.87939
_cell_angle_beta 100.39526
_cell_angle_gamma 122.08208
_cell_volume 383.70336
_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 0.13191 0.73267 0.46849 1.00000
Ca2 Ca 0.38583 0.35961 0.29498 1.00000
Ca3 Ca 0.69653 0.01588 0.28697 1.00000
Ca4 Ca 0.96535 0.64906 0.12501 1.00000
Ca5 Ca 0.21252 0.27262 0.65141 1.00000
Ca6 Ca 0.91178 0.62241 0.79000 1.00000
Ca7 Ca 0.61342 0.97296 0.77555 1.00000
Mg1 Mg 0.40020 0.13149 0.99070 1.00000
Mg2 Mg 0.40125 0.60340 0.99189 1.00000
Hg1 Hg 0.94717 0.13931 0.04641 1.00000
Hg2 Hg 0.66673 0.25271 0.53935 1.00000
Hg3 Hg 0.66732 0.74788 0.53925 1.00000
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