Tm4TlZn2
Alexandria ALEXAlex-ID: agm005992706 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_118_spg166
Tm5Tl3Zn Tm2Zn TmZn
2023-10-16 12:57:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005992706).
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 agm005992706
data_agm005992706
_cell_length_a 5.01988
_cell_length_b 5.01988
_cell_length_c 8.61973
_cell_angle_alpha 73.07108
_cell_angle_beta 73.07108
_cell_angle_gamma 59.99998
_cell_volume 177.15743
_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 0.86797 0.86797 0.39610 1.00000
Tm2 Tm 0.13203 0.13203 0.60390 1.00000
Tm3 Tm 0.61354 0.61354 0.15938 1.00000
Tm4 Tm 0.38646 0.38646 0.84062 1.00000
Tl1 Tl 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.74862 0.74862 0.75413 1.00000
Zn2 Zn 0.25138 0.25138 0.24587 1.00000
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