Tb6Au8Cl
Alexandria ALEXAlex-ID: agm072609780 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_1221_spg1
Tb7Au10 TbAu TbCl3
2024-10-05 20:05:53.205077
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072609780).
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 agm072609780
data_agm072609780
_cell_length_a 5.25579
_cell_length_b 8.28809
_cell_length_c 8.59213
_cell_angle_alpha 89.57525
_cell_angle_beta 100.33723
_cell_angle_gamma 95.07775
_cell_volume 366.74365
_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
Tb1 Tb 0.78989 0.45920 0.79234 1.00000
Tb2 Tb 0.26813 0.15282 0.94026 1.00000
Tb3 Tb 0.39925 0.81500 0.59622 1.00000
Tb4 Tb 0.21011 0.54080 0.20766 1.00000
Tb5 Tb 0.73187 0.84718 0.05974 1.00000
Tb6 Tb 0.60075 0.18500 0.40378 1.00000
Au1 Au 0.14981 0.14265 0.59338 1.00000
Au2 Au 0.85019 0.85735 0.40662 1.00000
Au3 Au 0.95458 0.80941 0.76740 1.00000
Au4 Au 0.70378 0.10407 0.77507 1.00000
Au5 Au 0.66342 0.41036 0.11667 1.00000
Au6 Au 0.04542 0.19059 0.23260 1.00000
Au7 Au 0.29622 0.89593 0.22493 1.00000
Au8 Au 0.33658 0.58964 0.88333 1.00000
Cl1 Cl 0.50000 0.50000 0.50000 1.00000
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