TbSmY5Er2
Alexandria ALEXAlex-ID: agm005153906 · 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_204_spg36
Tb4SmEr Tb2SmEr6 Y5Er Tb(SmY3)2
2023-01-19 18:38:14.900560
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005153906).
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 agm005153906
data_agm005153906
_cell_length_a 5.61830
_cell_length_b 10.42517
_cell_length_c 10.51124
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.63203
_cell_volume 592.88930
_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 0.58656 0.17312 0.94978 1.00000
Tb2 Tb 0.41344 0.82688 0.44978 1.00000
Sm1 Sm 0.80317 0.60635 0.51382 1.00000
Sm2 Sm 0.19683 0.39365 0.01382 1.00000
Y1 Y 0.38842 0.77684 0.02472 1.00000
Y2 Y 0.72135 0.44270 0.81506 1.00000
Y3 Y 0.47831 0.95661 0.73712 1.00000
Y4 Y 0.30038 0.60075 0.70550 1.00000
Y5 Y 0.98354 0.96709 0.52298 1.00000
Y6 Y 0.61158 0.22316 0.52472 1.00000
Y7 Y 0.27865 0.55730 0.31506 1.00000
Y8 Y 0.52169 0.04339 0.23712 1.00000
Y9 Y 0.69962 0.39925 0.20550 1.00000
Y10 Y 0.01646 0.03291 0.02298 1.00000
Er1 Er 0.88733 0.77466 0.81853 1.00000
Er2 Er 0.11048 0.22096 0.73646 1.00000
Er3 Er 0.11267 0.22534 0.31853 1.00000
Er4 Er 0.88952 0.77904 0.23646 1.00000
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