Tb2ErCdAu4
Alexandria ALEXAlex-ID: agm004795481 · 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
ABC2D4_337_spg166
Tb2CdAu2 ErAu2
2022-07-13 12:22:01.013737
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004795481).
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 agm004795481
data_agm004795481
_cell_length_a 5.00746
_cell_length_b 5.00746
_cell_length_c 8.77251
_cell_angle_alpha 73.41685
_cell_angle_beta 73.41685
_cell_angle_gamma 60.00000
_cell_volume 179.85545
_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 0.74322 0.74322 0.77035 1.00000
Tb2 Tb 0.25678 0.25678 0.22965 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.38020 0.38020 0.85940 1.00000
Au2 Au 0.86581 0.86581 0.40258 1.00000
Au3 Au 0.13419 0.13419 0.59742 1.00000
Au4 Au 0.61980 0.61980 0.14060 1.00000
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