CoH6RhPb
Alexandria ALEXAlex-ID: agm007665963 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_274_spg1
CoH H6Pb H2RhPb H8Rh3
2024-03-15 20:48:22.669306
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007665963).
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 agm007665963
data_agm007665963
_cell_length_a 4.54263
_cell_length_b 4.77727
_cell_length_c 5.30906
_cell_angle_alpha 91.65336
_cell_angle_beta 120.55245
_cell_angle_gamma 114.83015
_cell_volume 85.60891
_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
Co1 Co 0.19192 0.34024 0.48695 1.00000
H1 H 0.89975 0.47282 0.28237 1.00000
H2 H 0.33025 0.08595 0.65184 1.00000
H3 H 0.37533 0.58650 0.33655 1.00000
H4 H 0.11726 0.49473 0.71509 1.00000
H5 H 0.57074 0.34865 0.52367 1.00000
H6 H 0.82860 0.06003 0.49007 1.00000
Rh1 Rh 0.89314 0.72471 0.53630 1.00000
Pb1 Pb 0.79311 0.88631 0.97706 1.00000
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