UGaTc
Alexandria ALEXAlex-ID: agm017448040 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_12768_spg2
UGa UGaTc2
2025-01-18 00:29:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017448040).
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}
}
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# CIF generated by HEAS from Alexandria entry agm017448040
data_agm017448040
_cell_length_a 5.56615
_cell_length_b 5.56615
_cell_length_c 4.74606
_cell_angle_alpha 88.81914
_cell_angle_beta 91.18086
_cell_angle_gamma 130.00650
_cell_volume 112.60127
_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
U1 U 0.10579 0.89421 0.32236 1.00000
U2 U 0.89421 0.10579 0.67764 1.00000
Ga1 Ga 0.41475 0.58525 0.22616 1.00000
Ga2 Ga 0.58525 0.41475 0.77384 1.00000
Tc1 Tc 0.80348 0.19652 0.13945 1.00000
Tc2 Tc 0.19652 0.80348 0.86055 1.00000
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