Cr(RhSe2)2
Alexandria ALEXAlex-ID: agm005487170 · 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
AB2C4_22_spg12
CrRh3 Rh2Se3 Cr2Se3
2023-03-17 23:05:00.930750
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487170).
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 agm005487170
data_agm005487170
_cell_length_a 6.61657
_cell_length_b 6.61657
_cell_length_c 6.58764
_cell_angle_alpha 61.45961
_cell_angle_beta 61.45961
_cell_angle_gamma 32.63539
_cell_volume 134.88847
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.74081 0.74081 0.27479 1.00000
Rh2 Rh 0.25919 0.25919 0.72521 1.00000
Se1 Se 0.63118 0.63118 0.03223 1.00000
Se2 Se 0.36882 0.36882 0.96777 1.00000
Se3 Se 0.87240 0.87240 0.45701 1.00000
Se4 Se 0.12760 0.12760 0.54299 1.00000
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