U2Ga2Co3
Alexandria ALEXAlex-ID: agm010029243 · 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
A2B2C3_28_spg12
UGaCo GaCo U2GaCo3
2024-03-24 21:04:32.785139
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010029243).
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 agm010029243
data_agm010029243
_cell_length_a 5.03442
_cell_length_b 4.12479
_cell_length_c 6.30739
_cell_angle_alpha 109.12749
_cell_angle_beta 96.83519
_cell_angle_gamma 114.19411
_cell_volume 107.89196
_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 0.49971 0.82732 0.15689 1.00000
U2 U 0.50029 0.17268 0.84311 1.00000
Ga1 Ga 0.20134 0.31798 0.43435 1.00000
Ga2 Ga 0.79866 0.68202 0.56565 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.00942 0.39317 0.77695 1.00000
Co3 Co 0.99058 0.60683 0.22305 1.00000
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