Er5ThCd6
Alexandria ALEXAlex-ID: agm006088085 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_53_spg71
ThCd2 Th ErCd
2023-08-21 20:53:04.668256
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006088085).
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 agm006088085
data_agm006088085
_cell_length_a 5.23330
_cell_length_b 7.61133
_cell_length_c 9.11571
_cell_angle_alpha 114.67555
_cell_angle_beta 106.68089
_cell_angle_gamma 90.00099
_cell_volume 313.04925
_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
Cd1 Cd 0.82943 0.56915 0.65883 1.00000
Cd2 Cd 0.82940 0.08968 0.65883 1.00000
Cd3 Cd 0.50004 0.73248 0.00000 1.00000
Cd4 Cd 0.49996 0.26752 1.00000 1.00000
Cd5 Cd 0.17060 0.91032 0.34117 1.00000
Cd6 Cd 0.17057 0.43085 0.34117 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.66163 0.16163 0.32327 1.00000
Er2 Er 0.33078 0.33078 0.66156 1.00000
Er3 Er 0.00000 0.50000 0.00000 1.00000
Er4 Er 0.66922 0.66922 0.33844 1.00000
Er5 Er 0.33837 0.83837 0.67673 1.00000
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