CeTh2Mg
Alexandria ALEXAlex-ID: agm005709514 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_5722_spg129
CeTh3 CeMg3
2023-07-12 08:07:21.661769
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005709514).
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 agm005709514
data_agm005709514
_cell_length_a 3.42236
_cell_length_b 3.42225
_cell_length_c 20.07282
_cell_angle_alpha 90.00000
_cell_angle_beta 89.98873
_cell_angle_gamma 89.99984
_cell_volume 235.09653
_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
Ce1 Ce 0.25055 0.25000 0.44169 1.00000
Ce2 Ce 0.74945 0.75000 0.55831 1.00000
Th1 Th 0.24854 0.25000 0.68367 1.00000
Th2 Th 0.75146 0.75000 0.31633 1.00000
Th3 Th 0.24913 0.25000 0.93354 1.00000
Th4 Th 0.75087 0.75000 0.06646 1.00000
Mg1 Mg 0.25224 0.25000 0.19186 1.00000
Mg2 Mg 0.74776 0.75000 0.80814 1.00000
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