Cs2Rb2CoH6
Alexandria ALEXAlex-ID: agm004585508 · 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_592_spg12
Rb3CoH6 CsH Co
2022-06-27 07:59:41.845661
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004585508).
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 agm004585508
data_agm004585508
_cell_length_a 8.11750
_cell_length_b 8.11750
_cell_length_c 6.39575
_cell_angle_alpha 91.59777
_cell_angle_beta 91.59777
_cell_angle_gamma 133.53247
_cell_volume 304.77328
_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
Cs1 Cs 0.36352 0.63648 0.50000 1.00000
Cs2 Cs 0.63648 0.36352 0.50000 1.00000
Rb1 Rb 0.88128 0.11872 0.00000 1.00000
Rb2 Rb 0.11872 0.88128 0.00000 1.00000
Co1 Co 0.00000 0.00000 0.50000 1.00000
H1 H 0.82633 0.82633 0.66433 1.00000
H2 H 0.04775 0.19646 0.62732 1.00000
H3 H 0.17367 0.17367 0.33567 1.00000
H4 H 0.19646 0.04775 0.62732 1.00000
H5 H 0.95225 0.80354 0.37268 1.00000
H6 H 0.80354 0.95225 0.37268 1.00000
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