Eu3Ga7Hg2
Alexandria ALEXAlex-ID: agm101652196 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_3_spg166
EuGa2 EuHg3 EuGa4
2025-05-16 08:15:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101652196).
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 agm101652196
data_agm101652196
_cell_length_a 9.66359
_cell_length_b 9.66359
_cell_length_c 9.66359
_cell_angle_alpha 35.03642
_cell_angle_beta 35.03642
_cell_angle_gamma 35.03642
_cell_volume 265.58675
_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
Eu1 Eu 0.00000 0.00000 0.00000 1.00000
Eu2 Eu 0.85986 0.85986 0.85986 1.00000
Eu3 Eu 0.14014 0.14014 0.14014 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Ga2 Ga 0.40532 0.40532 0.92799 1.00000
Ga3 Ga 0.92799 0.40532 0.40532 1.00000
Ga4 Ga 0.40532 0.92799 0.40532 1.00000
Ga5 Ga 0.59468 0.59468 0.07201 1.00000
Ga6 Ga 0.59468 0.07201 0.59468 1.00000
Ga7 Ga 0.07201 0.59468 0.59468 1.00000
Hg1 Hg 0.66168 0.66168 0.66168 1.00000
Hg2 Hg 0.33832 0.33832 0.33832 1.00000
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