Ce4TmTl3
Alexandria ALEXAlex-ID: agm003552091 · 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
AB3C4_418_spg12
Ce2Tl Tm5Tl4 CeTl
2022-03-22 11:51:05.162230
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003552091).
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 agm003552091
data_agm003552091
_cell_length_a 4.86716
_cell_length_b 4.47133
_cell_length_c 12.14802
_cell_angle_alpha 123.46570
_cell_angle_beta 101.55611
_cell_angle_gamma 90.00000
_cell_volume 214.09132
_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
Ce1 Ce 0.26995 0.30905 0.53991 1.00000
Ce2 Ce 0.73005 0.69095 0.46009 1.00000
Ce3 Ce 0.63678 0.90931 0.27355 1.00000
Ce4 Ce 0.36322 0.09069 0.72645 1.00000
Tm1 Tm 0.50000 0.00000 0.00000 1.00000
Tl1 Tl 0.00000 0.50000 0.00000 1.00000
Tl2 Tl 0.87872 0.63703 0.75744 1.00000
Tl3 Tl 0.12128 0.36297 0.24256 1.00000
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