Ce2Sm3ErTe6
Alexandria ALEXAlex-ID: agm034650401 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_201_spg12
Ce3SmTe4 SmErTe2 SmTe
2025-03-02 05:17:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034650401).
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 agm034650401
data_agm034650401
_cell_length_a 9.94003
_cell_length_b 9.94003
_cell_length_c 8.90307
_cell_angle_alpha 76.63389
_cell_angle_beta 103.36611
_cell_angle_gamma 154.26251
_cell_volume 371.09637
_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 0.82993 0.17007 0.16372 1.00000
Ce2 Ce 0.17007 0.82993 0.83628 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.16731 0.83269 0.33574 1.00000
Sm3 Sm 0.83269 0.16731 0.66426 1.00000
Er1 Er 0.50000 0.50000 0.00000 1.00000
Te1 Te 0.33840 0.66160 0.91549 1.00000
Te2 Te 0.66611 0.33389 0.58230 1.00000
Te3 Te 0.66160 0.33840 0.08451 1.00000
Te4 Te 0.00050 0.99950 0.75753 1.00000
Te5 Te 0.99950 0.00050 0.24247 1.00000
Te6 Te 0.33389 0.66611 0.41770 1.00000
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