Er4Tl5Cu2
Alexandria ALEXAlex-ID: agm005658317 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_662_spg10
ErTl2 Er2TlCu2
2023-06-21 13:05:19.212935
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658317).
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 agm005658317
data_agm005658317
_cell_length_a 3.63127
_cell_length_b 7.87110
_cell_length_c 9.53641
_cell_angle_alpha 93.32778
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 272.11080
_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 0.50000 0.78724 0.57382 1.00000
Er2 Er 0.50000 0.19736 0.84737 1.00000
Er3 Er 0.50000 0.21276 0.42618 1.00000
Er4 Er 0.50000 0.80264 0.15263 1.00000
Tl1 Tl 0.00000 0.54795 0.33832 1.00000
Tl2 Tl 0.00000 0.14260 0.13813 1.00000
Tl3 Tl 0.00000 0.50000 0.00000 1.00000
Tl4 Tl 0.00000 0.85740 0.86187 1.00000
Tl5 Tl 0.00000 0.45205 0.66168 1.00000
Cu1 Cu 0.00000 0.07224 0.62447 1.00000
Cu2 Cu 0.00000 0.92776 0.37553 1.00000
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