CaTm5Hg6
Alexandria ALEXAlex-ID: agm062944259 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
CaTm3Hg4 TmHg
2024-11-09 13:58:09.713629
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062944259).
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 agm062944259
data_agm062944259
_cell_length_a 9.01328
_cell_length_b 9.01328
_cell_length_c 9.01328
_cell_angle_alpha 146.41647
_cell_angle_beta 131.51667
_cell_angle_gamma 60.26969
_cell_volume 300.46250
_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 0.00000 0.50000 0.50000 1.00000
Tm1 Tm 0.83771 0.83771 0.00000 1.00000
Tm2 Tm 0.66854 0.16854 0.50000 1.00000
Tm3 Tm 0.50000 0.50000 0.00000 1.00000
Tm4 Tm 0.33146 0.83146 0.50000 1.00000
Tm5 Tm 0.16229 0.16229 0.00000 1.00000
Hg1 Hg 0.91308 0.66934 0.24374 1.00000
Hg2 Hg 0.42559 0.66934 0.75626 1.00000
Hg3 Hg 0.73837 0.00000 0.73837 1.00000
Hg4 Hg 0.26163 0.00000 0.26163 1.00000
Hg5 Hg 0.57441 0.33066 0.24374 1.00000
Hg6 Hg 0.08692 0.33066 0.75626 1.00000
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