Tb2MgCd6
Alexandria ALEXAlex-ID: agm005604577 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_735_spg191
Tb11Cd45 TbCd3 TbMgCd2
2023-07-08 16:11:57.602486
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604577).
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 agm005604577
data_agm005604577
_cell_length_a 3.33016
_cell_length_b 8.65949
_cell_length_c 8.65949
_cell_angle_alpha 59.99952
_cell_angle_beta 89.95818
_cell_angle_gamma 89.95816
_cell_volume 216.26098
_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 0.00001 0.33331 0.33331 1.00000
Tb2 Tb 0.99999 0.66669 0.66669 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.49894 0.67062 0.00002 1.00000
Cd2 Cd 0.50106 0.99998 0.32938 1.00000
Cd3 Cd 0.50106 0.32938 0.99998 1.00000
Cd4 Cd 0.50000 0.67058 0.32942 1.00000
Cd5 Cd 0.49894 0.00002 0.67062 1.00000
Cd6 Cd 0.50000 0.32942 0.67058 1.00000
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