Tm2Zn6Cd
Alexandria ALEXAlex-ID: agm005603498 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_735_spg191
TmZn2Cd Tm2Zn17 TmZn3
2023-07-10 16:42:30.623568
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603498).
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 agm005603498
data_agm005603498
_cell_length_a 3.30109
_cell_length_b 7.74748
_cell_length_c 7.74748
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00002
_cell_angle_gamma 89.99999
_cell_volume 171.59642
_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 0.00000 0.33333 0.66667 1.00000
Tm2 Tm 1.00000 0.66667 0.33333 1.00000
Zn1 Zn 0.50000 0.33016 0.33016 1.00000
Zn2 Zn 0.50000 0.66984 0.66984 1.00000
Zn3 Zn 0.50000 0.00000 0.66984 1.00000
Zn4 Zn 0.50000 0.66984 1.00000 1.00000
Zn5 Zn 0.50000 0.33016 0.00000 1.00000
Zn6 Zn 0.50000 1.00000 0.33016 1.00000
Cd1 Cd 0.00000 0.00000 1.00000 1.00000
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