Mg2UCdH8
Alexandria ALEXAlex-ID: agm007751173 · 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
ABC2D8_1266_spg12
MgUH6 MgH2 Cd
2024-02-09 05:09:05
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007751173).
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 agm007751173
data_agm007751173
_cell_length_a 5.79704
_cell_length_b 3.78743
_cell_length_c 6.21716
_cell_angle_alpha 107.60703
_cell_angle_beta 113.62664
_cell_angle_gamma 90.17307
_cell_volume 117.98971
_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
Mg1 Mg 0.74626 0.26569 0.52739 1.00000
Mg2 Mg 0.25374 0.73431 0.47261 1.00000
U1 U 0.50000 0.50000 0.00000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
H1 H 0.89162 0.64933 0.30473 1.00000
H2 H 0.59231 0.70790 0.41490 1.00000
H3 H 0.10838 0.35067 0.69527 1.00000
H4 H 0.20915 0.56589 0.13230 1.00000
H5 H 0.79085 0.43411 0.86770 1.00000
H6 H 0.44105 0.90727 0.81376 1.00000
H7 H 0.55895 0.09273 0.18624 1.00000
H8 H 0.40769 0.29210 0.58510 1.00000
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