RbTb(GeI4)2
Alexandria ALEXAlex-ID: agm004898521 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_411_spg2
Rb3TbI6 TbI3 GeI2
2023-01-01 22:26:06.042767
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004898521).
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 agm004898521
data_agm004898521
_cell_length_a 7.85008
_cell_length_b 7.34646
_cell_length_c 10.00050
_cell_angle_alpha 84.38283
_cell_angle_beta 82.62327
_cell_angle_gamma 83.68300
_cell_volume 566.42963
_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 0.00000 0.00000 0.50000 1.00000
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.45904 0.44609 0.74207 1.00000
Ge2 Ge 0.54096 0.55391 0.25793 1.00000
I1 I 0.16738 0.74386 0.21441 1.00000
I2 I 0.68272 0.77671 0.03290 1.00000
I3 I 0.83502 0.25332 0.21626 1.00000
I4 I 0.83262 0.25614 0.78559 1.00000
I5 I 0.31728 0.22329 0.96710 1.00000
I6 I 0.16498 0.74668 0.78374 1.00000
I7 I 0.63178 0.72307 0.46349 1.00000
I8 I 0.36822 0.27693 0.53651 1.00000
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