Rb3Er2SnTe6
Alexandria ALEXAlex-ID: agm004635341 · 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_175_spg12
Rb2SnTe3 RbErTe2 SnTe
2022-06-28 22:47:33.884394
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004635341).
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 agm004635341
data_agm004635341
_cell_length_a 7.83903
_cell_length_b 7.83903
_cell_length_c 8.92956
_cell_angle_alpha 98.40716
_cell_angle_beta 98.40716
_cell_angle_gamma 120.00974
_cell_volume 454.38857
_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
Rb1 Rb 0.16575 0.83425 0.50000 1.00000
Rb2 Rb 0.83425 0.16575 0.50000 1.00000
Rb3 Rb 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.33323 0.66677 0.00000 1.00000
Er2 Er 0.66677 0.33323 0.00000 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.93452 0.59834 0.80367 1.00000
Te2 Te 0.72908 0.72908 0.19618 1.00000
Te3 Te 0.06548 0.40166 0.19633 1.00000
Te4 Te 0.59834 0.93452 0.80367 1.00000
Te5 Te 0.27092 0.27092 0.80382 1.00000
Te6 Te 0.40166 0.06548 0.19633 1.00000
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