MgTl17Hg11
Alexandria ALEXAlex-ID: agm005587403 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB11C17_2_spg8
Tl4Hg3 Tl MgHg
2023-06-09 04:49:18.776677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005587403).
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 agm005587403
data_agm005587403
_cell_length_a 10.28523
_cell_length_b 10.28523
_cell_length_c 10.27849
_cell_angle_alpha 109.67523
_cell_angle_beta 109.67523
_cell_angle_gamma 109.50688
_cell_volume 832.40353
_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
Mg1 Mg 0.36613 0.36613 0.19296 1.00000
Tl1 Tl 0.99661 0.99661 0.36543 1.00000
Tl2 Tl 0.67028 0.67028 0.28318 1.00000
Tl3 Tl 0.64415 0.64415 0.64172 1.00000
Tl4 Tl 0.38631 0.38631 0.70746 1.00000
Tl5 Tl 0.99693 0.99693 0.00058 1.00000
Tl6 Tl 0.31270 0.60706 0.99990 1.00000
Tl7 Tl 0.38975 0.70678 0.38894 1.00000
Tl8 Tl 0.00303 0.33368 0.60263 1.00000
Tl9 Tl 0.99843 0.35511 0.99782 1.00000
Tl10 Tl 0.30154 0.68387 0.68309 1.00000
Tl11 Tl 0.59558 0.99754 0.32376 1.00000
Tl12 Tl 0.99754 0.59558 0.32376 1.00000
Tl13 Tl 0.68387 0.30154 0.68309 1.00000
Tl14 Tl 0.35511 0.99843 0.99782 1.00000
Tl15 Tl 0.33368 0.00303 0.60263 1.00000
Tl16 Tl 0.70678 0.38975 0.38894 1.00000
Tl17 Tl 0.60706 0.31270 0.99990 1.00000
Hg1 Hg 0.20744 0.20744 0.84963 1.00000
Hg2 Hg 0.62785 0.80644 0.00403 1.00000
Hg3 Hg 0.17537 0.36164 0.35490 1.00000
Hg4 Hg 0.82979 0.01356 0.62942 1.00000
Hg5 Hg 0.64778 0.99948 0.80806 1.00000
Hg6 Hg 0.81104 0.17412 0.18698 1.00000
Hg7 Hg 0.17412 0.81104 0.18698 1.00000
Hg8 Hg 0.99948 0.64778 0.80806 1.00000
Hg9 Hg 0.01356 0.82979 0.62942 1.00000
Hg10 Hg 0.36164 0.17537 0.35490 1.00000
Hg11 Hg 0.80644 0.62785 0.00403 1.00000
