Tm3AgHg6
Alexandria ALEXAlex-ID: agm006014012 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_274_spg160
TmHg3 Tm3Hg5 TmAgHg2
2023-09-07 01:58:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014012).
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
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# CIF generated by HEAS from Alexandria entry agm006014012
data_agm006014012
_cell_length_a 5.89242
_cell_length_b 7.13420
_cell_length_c 7.13413
_cell_angle_alpha 111.06085
_cell_angle_beta 104.90939
_cell_angle_gamma 104.90935
_cell_volume 249.27769
_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
Tm1 Tm 0.01999 0.50791 0.00354 1.00000
Tm2 Tm 0.01999 0.00355 0.50791 1.00000
Tm3 Tm 0.53500 0.51607 0.51606 1.00000
Ag1 Ag 0.98421 0.96324 0.96325 1.00000
Hg1 Hg 0.59832 0.02511 0.70158 1.00000
Hg2 Hg 0.59831 0.70157 0.02511 1.00000
Hg3 Hg 0.42132 0.01042 0.28809 1.00000
Hg4 Hg 0.42131 0.28808 0.01041 1.00000
Hg5 Hg 0.14835 0.68745 0.68745 1.00000
Hg6 Hg 0.91420 0.29660 0.29660 1.00000
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