Ce5MoPb3
Alexandria ALEXAlex-ID: agm072256349 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1331_spg44
Ce2Pb Ce5Pb4 Mo
2024-09-24 17:13:03.893507
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072256349).
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 agm072256349
data_agm072256349
_cell_length_a 8.50443
_cell_length_b 8.50443
_cell_length_c 6.23558
_cell_angle_alpha 75.86221
_cell_angle_beta 75.86221
_cell_angle_gamma 35.54987
_cell_volume 253.43855
_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
Ce1 Ce 0.19919 0.19919 0.52829 1.00000
Ce2 Ce 0.01075 0.01075 0.26099 1.00000
Ce3 Ce 0.74127 0.74127 0.68735 1.00000
Ce4 Ce 0.31963 0.31963 0.05622 1.00000
Ce5 Ce 0.56831 0.56831 0.80512 1.00000
Mo1 Mo 0.15475 0.15475 0.01863 1.00000
Pb1 Pb 0.40041 0.40041 0.50091 1.00000
Pb2 Pb 0.66605 0.66605 0.23901 1.00000
Pb3 Pb 0.94003 0.94003 0.81988 1.00000
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