Ce3PmPb2C
Alexandria ALEXAlex-ID: agm050842286 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D3_2_spg71
Pm5Pb4 Ce2PbC2 Ce3PbC Ce5Pb3C
2025-06-08 22:43:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050842286).
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 agm050842286
data_agm050842286
_cell_length_a 8.96017
_cell_length_b 8.96017
_cell_length_c 4.88626
_cell_angle_alpha 74.29291
_cell_angle_beta 105.70709
_cell_angle_gamma 147.11603
_cell_volume 204.32962
_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 0.00000 0.00000 0.50000 1.00000
Ce2 Ce 0.84217 0.15783 0.84372 1.00000
Ce3 Ce 0.15783 0.84217 0.15628 1.00000
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Pb1 Pb 0.35909 0.64091 0.36057 1.00000
Pb2 Pb 0.64091 0.35909 0.63943 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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