Er4Tl7Cd
Alexandria ALEXAlex-ID: agm012932774 · 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
AB4C7_310_spg5
ErTl2 ErCd2
2025-02-27 03:25:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012932774).
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 agm012932774
data_agm012932774
_cell_length_a 8.95948
_cell_length_b 8.95948
_cell_length_c 4.69048
_cell_angle_alpha 74.77387
_cell_angle_beta 105.22613
_cell_angle_gamma 117.92251
_cell_volume 316.66863
_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
Er1 Er 0.34813 0.65187 0.84814 1.00000
Er2 Er 0.65187 0.34813 0.15186 1.00000
Er3 Er 0.15970 0.84030 0.15966 1.00000
Er4 Er 0.84030 0.15970 0.84034 1.00000
Tl1 Tl 0.75996 0.75996 0.00000 1.00000
Tl2 Tl 0.24004 0.24004 0.00000 1.00000
Tl3 Tl 0.42115 0.07025 0.67524 1.00000
Tl4 Tl 0.57885 0.92975 0.32476 1.00000
Tl5 Tl 0.07025 0.42115 0.32476 1.00000
Tl6 Tl 0.50000 0.50000 0.50000 1.00000
Tl7 Tl 0.92975 0.57885 0.67524 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
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