AcTb2(TlCd)2
Alexandria ALEXAlex-ID: agm004548892 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_139_spg166
TbCd2 AcCd2 Tb3Tl2Cd Ac3Tl5
2022-06-22 01:49:03.927567
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004548892).
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 agm004548892
data_agm004548892
_cell_length_a 5.09113
_cell_length_b 5.09113
_cell_length_c 9.63631
_cell_angle_alpha 74.68273
_cell_angle_beta 74.68273
_cell_angle_gamma 60.00000
_cell_volume 205.99800
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Tb1 Tb 0.13610 0.13610 0.59171 1.00000
Tb2 Tb 0.86390 0.86390 0.40829 1.00000
Tl1 Tl 0.73730 0.73730 0.78809 1.00000
Tl2 Tl 0.26270 0.26270 0.21191 1.00000
Cd1 Cd 0.56253 0.56253 0.31240 1.00000
Cd2 Cd 0.43747 0.43747 0.68760 1.00000
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