TmZn2Ga
Alexandria ALEXAlex-ID: agm005680032 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7722_spg63
Tm2Zn17 Tm3(ZnGa)4 TmZnGa
2023-07-13 18:17:01.051116
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005680032).
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 agm005680032
data_agm005680032
_cell_length_a 4.15916
_cell_length_b 8.91720
_cell_length_c 8.28276
_cell_angle_alpha 90.00000
_cell_angle_beta 104.54101
_cell_angle_gamma 90.00000
_cell_volume 297.35158
_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 0.50000 0.50000 0.00000 1.00000
Tm2 Tm 0.50000 0.00000 0.00000 1.00000
Tm3 Tm 0.30206 0.75000 0.60411 1.00000
Tm4 Tm 0.69794 0.25000 0.39589 1.00000
Zn1 Zn 0.89585 0.25000 0.79169 1.00000
Zn2 Zn 0.95233 0.75000 0.90466 1.00000
Zn3 Zn 0.10415 0.75000 0.20831 1.00000
Zn4 Zn 0.04767 0.25000 0.09534 1.00000
Zn5 Zn 0.69241 0.60587 0.38482 1.00000
Zn6 Zn 0.30759 0.39413 0.61518 1.00000
Zn7 Zn 0.30759 0.10587 0.61518 1.00000
Zn8 Zn 0.69241 0.89413 0.38482 1.00000
Ga1 Ga 0.14327 0.47209 0.28654 1.00000
Ga2 Ga 0.85673 0.97209 0.71346 1.00000
Ga3 Ga 0.14327 0.02791 0.28654 1.00000
Ga4 Ga 0.85673 0.52791 0.71346 1.00000
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