Pm5Cd2Pb5
Alexandria ALEXAlex-ID: agm005665950 · 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
A2B5C5_18_spg12
PmCd2Pb Pm5Pb4 Pm2CdPb3
2023-06-18 22:03:28.460241
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665950).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005665950
data_agm005665950
_cell_length_a 4.82701
_cell_length_b 8.79743
_cell_length_c 9.13040
_cell_angle_alpha 96.23103
_cell_angle_beta 74.67242
_cell_angle_gamma 74.07717
_cell_volume 352.66750
_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
Pm1 Pm 0.00000 0.50000 0.50000 1.00000
Pm2 Pm 0.68565 0.71280 0.91590 1.00000
Pm3 Pm 0.36053 0.95009 0.32885 1.00000
Pm4 Pm 0.63947 0.04991 0.67115 1.00000
Pm5 Pm 0.31435 0.28720 0.08410 1.00000
Cd1 Cd 0.39543 0.46412 0.74502 1.00000
Cd2 Cd 0.60457 0.53588 0.25498 1.00000
Pb1 Pb 0.70215 0.22518 0.37052 1.00000
Pb2 Pb 0.93516 0.30301 0.82668 1.00000
Pb3 Pb 0.06484 0.69699 0.17332 1.00000
Pb4 Pb 0.29785 0.77482 0.62948 1.00000
Pb5 Pb 0.00000 0.00000 0.00000 1.00000
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