Ce5Tm3Sn
Alexandria ALEXAlex-ID: agm072298698 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1332_spg8
Tm5Sn3 Ce Tm
2024-09-24 22:45:18.591784
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072298698).
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 agm072298698
data_agm072298698
_cell_length_a 6.40410
_cell_length_b 6.46096
_cell_length_c 7.29712
_cell_angle_alpha 80.34500
_cell_angle_beta 110.34496
_cell_angle_gamma 116.58533
_cell_volume 253.13631
_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
Ce1 Ce 0.54959 0.61698 0.60739 1.00000
Ce2 Ce 0.33230 0.17657 0.46149 1.00000
Ce3 Ce 0.95557 0.11733 0.57510 1.00000
Ce4 Ce 0.56899 0.89887 0.26199 1.00000
Ce5 Ce 0.41976 0.90975 0.78701 1.00000
Tm1 Tm 0.96968 0.40761 0.98451 1.00000
Tm2 Tm 0.46966 0.37797 0.03100 1.00000
Tm3 Tm 0.95806 0.59196 0.42625 1.00000
Sn1 Sn 0.97966 0.89855 0.02651 1.00000
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