Tb5CeNdDy2
Alexandria ALEXAlex-ID: agm005166013 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_252_spg36
TbDy5 Tb5Dy Tb5Nd3 Ce
2023-01-21 09:33:57.402872
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005166013).
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 agm005166013
data_agm005166013
_cell_length_a 5.72135
_cell_length_b 11.15771
_cell_length_c 9.61150
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.85570
_cell_volume 593.06172
_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 0.39389 0.78779 0.04071 1.00000
Tb2 Tb 0.73344 0.46688 0.83344 1.00000
Tb3 Tb 0.47112 0.94224 0.74613 1.00000
Tb4 Tb 0.30623 0.61246 0.71572 1.00000
Tb5 Tb 0.98743 0.97487 0.51427 1.00000
Tb6 Tb 0.60611 0.21221 0.54071 1.00000
Tb7 Tb 0.26656 0.53312 0.33344 1.00000
Tb8 Tb 0.52888 0.05776 0.24613 1.00000
Tb9 Tb 0.69377 0.38754 0.21572 1.00000
Tb10 Tb 0.01257 0.02513 0.01427 1.00000
Ce1 Ce 0.80586 0.61173 0.52286 1.00000
Ce2 Ce 0.19414 0.38827 0.02286 1.00000
Nd1 Nd 0.59693 0.19386 0.92348 1.00000
Nd2 Nd 0.40307 0.80614 0.42348 1.00000
Dy1 Dy 0.88670 0.77341 0.82266 1.00000
Dy2 Dy 0.13670 0.27339 0.70471 1.00000
Dy3 Dy 0.11330 0.22659 0.32266 1.00000
Dy4 Dy 0.86330 0.72661 0.20471 1.00000
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