Y8HgIr2
Alexandria ALEXAlex-ID: agm006015644 · 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
AB2C8_17_spg12
Y3Ir Y5Ir2 Y10Hg3Ir
2023-10-01 20:16:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006015644).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm006015644
data_agm006015644
_cell_length_a 5.50371
_cell_length_b 7.90810
_cell_length_c 7.90810
_cell_angle_alpha 113.16474
_cell_angle_beta 97.46214
_cell_angle_gamma 97.46215
_cell_volume 307.51763
_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 0.58307 0.33366 0.07147 1.00000
Y2 Y 0.58307 0.07147 0.33366 1.00000
Y3 Y 0.19655 0.38310 0.38310 1.00000
Y4 Y 0.99990 0.24780 0.75890 1.00000
Y5 Y 0.99990 0.75890 0.24780 1.00000
Y6 Y 0.80285 0.62248 0.62248 1.00000
Y7 Y 0.41687 0.93489 0.67284 1.00000
Y8 Y 0.41687 0.67284 0.93489 1.00000
Hg1 Hg 0.00125 0.00262 0.00262 1.00000
Ir1 Ir 0.49968 0.69324 0.31292 1.00000
Ir2 Ir 0.49968 0.31292 0.69324 1.00000
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