Ac5Tl5Cd2
Alexandria ALEXAlex-ID: agm005651269 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C5_18_spg12
Ac3Tl5 AcCd2 AcTl
2023-06-18 22:33:01.190245
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651269).
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 agm005651269
data_agm005651269
_cell_length_a 5.18690
_cell_length_b 9.19017
_cell_length_c 9.38247
_cell_angle_alpha 97.30605
_cell_angle_beta 73.95367
_cell_angle_gamma 73.60854
_cell_volume 402.01339
_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 0.50000 0.50000 1.00000
Ac2 Ac 0.68746 0.69496 0.93012 1.00000
Ac3 Ac 0.33876 0.98854 0.33394 1.00000
Ac4 Ac 0.66124 0.01146 0.66606 1.00000
Ac5 Ac 0.31254 0.30504 0.06988 1.00000
Tl1 Tl 0.70456 0.24655 0.34432 1.00000
Tl2 Tl 0.97890 0.26574 0.77647 1.00000
Tl3 Tl 0.02110 0.73426 0.22353 1.00000
Tl4 Tl 0.29544 0.75345 0.65568 1.00000
Tl5 Tl 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.41422 0.43452 0.73704 1.00000
Cd2 Cd 0.58578 0.56548 0.26296 1.00000
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