Th7(HgIr)2
Alexandria ALEXAlex-ID: agm003324764 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_243_spg65
ThHg Th7Ir3 Th
2022-01-29 10:25:59.754552
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003324764).
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 agm003324764
data_agm003324764
_cell_length_a 7.01652
_cell_length_b 7.05384
_cell_length_c 7.01652
_cell_angle_alpha 90.02020
_cell_angle_beta 106.67228
_cell_angle_gamma 89.97980
_cell_volume 332.67263
_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
Th1 Th 0.99978 0.26445 0.50034 1.00000
Th2 Th 0.50034 0.73555 0.99978 1.00000
Th3 Th 0.00022 0.73555 0.49966 1.00000
Th4 Th 0.49966 0.26445 0.00022 1.00000
Th5 Th 0.00000 0.00000 0.00000 1.00000
Th6 Th 0.50023 0.75593 0.49977 1.00000
Th7 Th 0.49977 0.24407 0.50023 1.00000
Hg1 Hg 0.83117 0.50000 0.83117 1.00000
Hg2 Hg 0.16883 0.50000 0.16883 1.00000
Ir1 Ir 0.73211 0.99998 0.26789 1.00000
Ir2 Ir 0.26789 0.00002 0.73211 1.00000
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