TlZnGa2
Alexandria ALEXAlex-ID: agm005803628 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_2955_spg2
Zn2Ga7 Tl Zn
2023-07-13 18:44:14.259383
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803628).
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 agm005803628
data_agm005803628
_cell_length_a 4.18827
_cell_length_b 6.58632
_cell_length_c 6.66688
_cell_angle_alpha 95.45944
_cell_angle_beta 90.00000
_cell_angle_gamma 108.53916
_cell_volume 173.48405
_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
Tl1 Tl 0.46188 0.92376 0.27277 1.00000
Tl2 Tl 0.34401 0.68802 0.81584 1.00000
Zn1 Zn 0.00037 0.00075 0.61438 1.00000
Zn2 Zn 0.16802 0.33605 0.37738 1.00000
Ga1 Ga 0.80059 0.60118 0.46588 1.00000
Ga2 Ga 0.72088 0.44177 0.08629 1.00000
Ga3 Ga 0.62992 0.25984 0.69451 1.00000
Ga4 Ga 0.07834 0.15669 0.99040 1.00000
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