Ac2Nd2CoHg2
Alexandria ALEXAlex-ID: agm004545840 · 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
AB2C2D2_66_spg71
NdCo Nd4CoHg Ac5CoHg2 AcHg
2022-06-22 02:21:42.009246
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004545840).
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 agm004545840
data_agm004545840
_cell_length_a 4.12338
_cell_length_b 7.44985
_cell_length_c 8.08150
_cell_angle_alpha 69.21802
_cell_angle_beta 75.11952
_cell_angle_gamma 89.88336
_cell_volume 223.22345
_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 0.19806 0.18891 0.60116 1.00000
Ac2 Ac 0.80194 0.81109 0.39884 1.00000
Nd1 Nd 0.48151 0.23150 0.03783 1.00000
Nd2 Nd 0.51849 0.76850 0.96217 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.12240 0.56793 0.75680 1.00000
Hg2 Hg 0.87760 0.43207 0.24320 1.00000
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