Li2Ac3(HoTl2)2
Alexandria ALEXAlex-ID: agm004488694 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3D4_9_spg164
Ac2Ho3Tl4 LiAcTl Ho
2022-06-18 01:40:44.526419
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004488694).
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 agm004488694
data_agm004488694
_cell_length_a 5.14694
_cell_length_b 5.14694
_cell_length_c 15.50111
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 355.62461
_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
Li1 Li 0.66667 0.33333 0.86895 1.00000
Li2 Li 0.33333 0.66667 0.13105 1.00000
Ac1 Ac 0.00000 0.00000 0.74633 1.00000
Ac2 Ac 0.00000 0.00000 0.00000 1.00000
Ac3 Ac 0.00000 0.00000 0.25367 1.00000
Ho1 Ho 0.66667 0.33333 0.42906 1.00000
Ho2 Ho 0.33333 0.66667 0.57094 1.00000
Tl1 Tl 0.66667 0.33333 0.12629 1.00000
Tl2 Tl 0.33333 0.66667 0.87371 1.00000
Tl3 Tl 0.66667 0.33333 0.63207 1.00000
Tl4 Tl 0.33333 0.66667 0.36793 1.00000
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