Sm2Ho3ErTe6
Alexandria ALEXAlex-ID: agm004616865 · 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_28_spg12
SmHoTe2 HoTe SmErTe2
2022-06-30 13:30:04.765294
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004616865).
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 agm004616865
data_agm004616865
_cell_length_a 4.33864
_cell_length_b 8.79352
_cell_length_c 9.77941
_cell_angle_alpha 102.95498
_cell_angle_beta 102.81625
_cell_angle_gamma 90.00000
_cell_volume 354.06185
_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
Sm1 Sm 0.82967 0.66281 0.65934 1.00000
Sm2 Sm 0.17033 0.33719 0.34066 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.82792 0.16567 0.65585 1.00000
Ho3 Ho 0.17208 0.83433 0.34415 1.00000
Er1 Er 0.50000 0.00000 0.00000 1.00000
Te1 Te 0.33645 0.92445 0.67289 1.00000
Te2 Te 0.66266 0.58797 0.32532 1.00000
Te3 Te 0.66355 0.07555 0.32711 1.00000
Te4 Te 0.99718 0.24718 0.99435 1.00000
Te5 Te 0.00282 0.75282 0.00565 1.00000
Te6 Te 0.33734 0.41203 0.67468 1.00000
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