Ac8HgBi6
Alexandria ALEXAlex-ID: agm072901693 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_0_spg148
AcHg Ac AcBi
2024-10-06 08:25:42.015147
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072901693).
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 agm072901693
data_agm072901693
_cell_length_a 9.02740
_cell_length_b 9.02740
_cell_length_c 9.02740
_cell_angle_alpha 68.61873
_cell_angle_beta 68.61873
_cell_angle_gamma 68.61873
_cell_volume 614.70997
_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
Ac1 Ac 0.33161 0.33161 0.33161 1.00000
Ac2 Ac 0.66839 0.66839 0.66839 1.00000
Ac3 Ac 0.82090 0.09835 0.35463 1.00000
Ac4 Ac 0.35463 0.82090 0.09835 1.00000
Ac5 Ac 0.09835 0.35463 0.82090 1.00000
Ac6 Ac 0.17910 0.90165 0.64537 1.00000
Ac7 Ac 0.64537 0.17910 0.90165 1.00000
Ac8 Ac 0.90165 0.64537 0.17910 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.07157 0.69852 0.45780 1.00000
Bi2 Bi 0.45780 0.07157 0.69852 1.00000
Bi3 Bi 0.69852 0.45780 0.07157 1.00000
Bi4 Bi 0.92843 0.30148 0.54220 1.00000
Bi5 Bi 0.54220 0.92843 0.30148 1.00000
Bi6 Bi 0.30148 0.54220 0.92843 1.00000
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