Pm3(Nd2Hg)2
Alexandria ALEXAlex-ID: agm003333358 · 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
A2B3C4_293_spg12
Nd2Hg Pm2Hg Nd
2022-01-29 22:38:32.296133
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333358).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003333358
data_agm003333358
_cell_length_a 5.46022
_cell_length_b 6.90492
_cell_length_c 9.68741
_cell_angle_alpha 59.73942
_cell_angle_beta 73.60310
_cell_angle_gamma 66.68681
_cell_volume 288.13050
_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
Pm1 Pm 0.58152 0.18746 0.65006 1.00000
Pm2 Pm 0.00000 0.00000 0.00000 1.00000
Pm3 Pm 0.41848 0.81254 0.34994 1.00000
Nd1 Nd 0.33060 0.38740 0.95183 1.00000
Nd2 Nd 0.87710 0.59186 0.65498 1.00000
Nd3 Nd 0.12290 0.40814 0.34502 1.00000
Nd4 Nd 0.66940 0.61260 0.04817 1.00000
Hg1 Hg 0.79724 0.08843 0.31623 1.00000
Hg2 Hg 0.20276 0.91157 0.68377 1.00000
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