Nd6Hg8Rh
Alexandria ALEXAlex-ID: agm072139763 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_1199_spg8
Nd3Hg4 NdHg2 Nd11Hg9Rh4
2024-10-11 15:07:46.810172
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072139763).
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 agm072139763
data_agm072139763
_cell_length_a 9.07549
_cell_length_b 8.54411
_cell_length_c 7.89913
_cell_angle_alpha 73.08763
_cell_angle_beta 120.11630
_cell_angle_gamma 126.85077
_cell_volume 423.92593
_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
Nd1 Nd 0.50330 0.68797 0.18534 1.00000
Nd2 Nd 0.88712 0.37344 0.92573 1.00000
Nd3 Nd 0.46442 0.95025 0.50088 1.00000
Nd4 Nd 0.04663 0.12566 0.75229 1.00000
Nd5 Nd 0.62320 0.61891 0.82546 1.00000
Nd6 Nd 0.05398 0.04783 0.25790 1.00000
Hg1 Hg 0.51491 0.35486 0.51962 1.00000
Hg2 Hg 0.12840 0.81245 0.06294 1.00000
Hg3 Hg 0.20241 0.57864 0.73206 1.00000
Hg4 Hg 0.76782 0.14083 0.29738 1.00000
Hg5 Hg 0.47920 0.29766 0.13592 1.00000
Hg6 Hg 0.40882 0.03055 0.84280 1.00000
Hg7 Hg 0.91867 0.74007 0.57963 1.00000
Hg8 Hg 0.20335 0.48926 0.38616 1.00000
Rh1 Rh 0.72267 0.97292 0.90254 1.00000
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