Tm12HgPd6
Alexandria ALEXAlex-ID: agm006131069 · Space group: Im-3 (#204)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_0_spg204
Tm4HgPd Tm2Pd TmPd
2023-08-26 05:23:28.654111
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006131069).
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 agm006131069
data_agm006131069
_cell_length_a 8.47341
_cell_length_b 8.47341
_cell_length_c 8.47341
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 468.33100
_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 0.29382 0.11147 0.81765 1.00000
Tm2 Tm 0.29382 0.47617 0.18235 1.00000
Tm3 Tm 0.70618 0.52383 0.81765 1.00000
Tm4 Tm 0.70618 0.88853 0.18235 1.00000
Tm5 Tm 0.11147 0.81765 0.29382 1.00000
Tm6 Tm 0.47617 0.18235 0.29382 1.00000
Tm7 Tm 0.52383 0.81765 0.70618 1.00000
Tm8 Tm 0.88853 0.18235 0.70618 1.00000
Tm9 Tm 0.81765 0.29382 0.11147 1.00000
Tm10 Tm 0.18235 0.29382 0.47617 1.00000
Tm11 Tm 0.81765 0.70618 0.52383 1.00000
Tm12 Tm 0.18235 0.70618 0.88853 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.36145 0.50000 0.86145 1.00000
Pd2 Pd 0.63855 0.50000 0.13855 1.00000
Pd3 Pd 0.50000 0.86145 0.36145 1.00000
Pd4 Pd 0.50000 0.13855 0.63855 1.00000
Pd5 Pd 0.86145 0.36145 0.50000 1.00000
Pd6 Pd 0.13855 0.63855 0.50000 1.00000
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