Y3Ga8Tc3
Alexandria ALEXAlex-ID: agm008293502 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_24_spg71
Y4Ga12Tc GaTc2 YGa2
2024-03-15 00:26:25.773715
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008293502).
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 agm008293502
data_agm008293502
_cell_length_a 8.15528
_cell_length_b 8.15528
_cell_length_c 8.15528
_cell_angle_alpha 149.48985
_cell_angle_beta 109.57771
_cell_angle_gamma 78.66037
_cell_volume 254.59890
_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
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.79488 0.79488 0.00000 1.00000
Y3 Y 0.20512 0.20512 0.00000 1.00000
Ga1 Ga 0.92412 0.63492 0.28920 1.00000
Ga2 Ga 0.07588 0.36508 0.71080 1.00000
Ga3 Ga 0.34572 0.63492 0.71080 1.00000
Ga4 Ga 0.65428 0.36508 0.28920 1.00000
Ga5 Ga 0.21318 0.85070 0.36248 1.00000
Ga6 Ga 0.78682 0.14930 0.63752 1.00000
Ga7 Ga 0.48822 0.85070 0.63752 1.00000
Ga8 Ga 0.51178 0.14930 0.36248 1.00000
Tc1 Tc 0.00000 0.50000 0.50000 1.00000
Tc2 Tc 0.16764 0.00000 0.16764 1.00000
Tc3 Tc 0.83236 0.00000 0.83236 1.00000
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