Er6HgIr2
Alexandria ALEXAlex-ID: agm005806536 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_712_spg71
Er4HgIr Er5HgIr2 Er5Ir2
2023-07-07 00:37:28.997124
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806536).
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 agm005806536
data_agm005806536
_cell_length_a 8.40543
_cell_length_b 8.40543
_cell_length_c 8.40543
_cell_angle_alpha 103.99876
_cell_angle_beta 111.40328
_cell_angle_gamma 113.15183
_cell_volume 453.94378
_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
Er1 Er 0.53497 0.71569 0.81928 1.00000
Er2 Er 0.46503 0.28431 0.18072 1.00000
Er3 Er 0.10359 0.28431 0.81928 1.00000
Er4 Er 0.89641 0.71569 0.18072 1.00000
Er5 Er 0.79828 0.75969 0.55797 1.00000
Er6 Er 0.20172 0.24031 0.44203 1.00000
Er7 Er 0.20172 0.75969 0.96141 1.00000
Er8 Er 0.79828 0.24031 0.03859 1.00000
Er9 Er 0.69231 0.36059 0.66828 1.00000
Er10 Er 0.30769 0.63941 0.33172 1.00000
Er11 Er 0.30769 0.97597 0.66828 1.00000
Er12 Er 0.69231 0.02403 0.33172 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.50000 0.36832 0.86832 1.00000
Ir2 Ir 0.50000 0.63168 0.13168 1.00000
Ir3 Ir 0.66629 1.00000 0.66629 1.00000
Ir4 Ir 0.33371 0.00000 0.33371 1.00000
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