ZnGaTc
Alexandria ALEXAlex-ID: agm005702944 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_11048_spg74
Zn7Tc GaTc2 Ga4Tc
2023-06-19 13:02:07.250294
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702944).
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 agm005702944
data_agm005702944
_cell_length_a 5.23159
_cell_length_b 5.23091
_cell_length_c 5.23144
_cell_angle_alpha 104.46836
_cell_angle_beta 118.71612
_cell_angle_gamma 105.60592
_cell_volume 108.06383
_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
Zn1 Zn 0.35600 0.16802 0.48436 1.00000
Zn2 Zn 0.35544 0.66747 0.98438 1.00000
Ga1 Ga 0.85552 0.16793 0.98474 1.00000
Ga2 Ga 0.85572 0.66809 0.48463 1.00000
Tc1 Tc 0.35566 0.66799 0.48460 1.00000
Tc2 Tc 0.85570 0.66799 0.98461 1.00000
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