Er2Tl4Hg
Alexandria ALEXAlex-ID: agm096575293 · 空间群: Pmm2 (#25)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_1762_spg8
ErTl3 Er3Hg4 Er3Hg5
2025-04-10 17:35:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096575293).
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}
}
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# CIF generated by HEAS from Alexandria entry agm096575293
data_agm096575293
_cell_length_a 4.30376
_cell_length_b 4.80714
_cell_length_c 9.63474
_cell_angle_alpha 89.99910
_cell_angle_beta 90.00848
_cell_angle_gamma 90.00159
_cell_volume 199.33081
_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 0.99965 0.07143 0.13983 1.00000
Er2 Er 0.49978 0.07145 0.43936 1.00000
Tl1 Tl 0.49974 0.57143 0.17113 1.00000
Tl2 Tl 0.00072 0.07141 0.73438 1.00000
Tl3 Tl 0.99984 0.57145 0.40627 1.00000
Tl4 Tl 0.50048 0.57141 0.67497 1.00000
Hg1 Hg 0.99979 0.57142 0.93405 1.00000
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