Rb2Sm2NpTe6
Alexandria ALEXAlex-ID: agm011520007 · 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
AB2C2D6_25_spg12
RbSmTe2 NpTe2
2025-01-21 19:44:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011520007).
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 agm011520007
data_agm011520007
_cell_length_a 7.79407
_cell_length_b 7.79407
_cell_length_c 9.16876
_cell_angle_alpha 81.67732
_cell_angle_beta 98.32268
_cell_angle_gamma 60.15633
_cell_volume 462.52873
_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 0.83107 0.83107 0.50000 1.00000
Rb2 Rb 0.16893 0.16893 0.50000 1.00000
Sm1 Sm 0.33270 0.33270 0.00000 1.00000
Sm2 Sm 0.66730 0.66730 0.00000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.25869 0.74131 0.80199 1.00000
Te2 Te 0.60696 0.06929 0.80055 1.00000
Te3 Te 0.74131 0.25869 0.19801 1.00000
Te4 Te 0.93071 0.39304 0.80055 1.00000
Te5 Te 0.39304 0.93071 0.19945 1.00000
Te6 Te 0.06929 0.60696 0.19945 1.00000
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