Ce6Ge2Pb
Alexandria ALEXAlex-ID: agm005694664 · 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
AB2C6_798_spg71
Ce5GePb3 Ce2Ge Ce3Pb
2023-07-07 07:25:39.100510
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694664).
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 agm005694664
data_agm005694664
_cell_length_a 8.67269
_cell_length_b 8.67269
_cell_length_c 8.67269
_cell_angle_alpha 103.52313
_cell_angle_beta 110.79606
_cell_angle_gamma 114.27518
_cell_volume 497.64042
_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 0.48595 0.28213 0.20383 1.00000
Ce2 Ce 0.51405 0.71787 0.79617 1.00000
Ce3 Ce 0.92170 0.71787 0.20383 1.00000
Ce4 Ce 0.07830 0.28213 0.79617 1.00000
Ce5 Ce 0.21488 0.75266 0.96754 1.00000
Ce6 Ce 0.78512 0.24734 0.03246 1.00000
Ce7 Ce 0.78512 0.75266 0.53778 1.00000
Ce8 Ce 0.21488 0.24734 0.46222 1.00000
Ce9 Ce 0.28098 0.96724 0.68626 1.00000
Ce10 Ce 0.71902 0.03276 0.31374 1.00000
Ce11 Ce 0.71902 0.40528 0.68626 1.00000
Ce12 Ce 0.28098 0.59472 0.31374 1.00000
Ge1 Ge 0.50000 0.38157 0.88157 1.00000
Ge2 Ge 0.50000 0.61843 0.11843 1.00000
Ge3 Ge 0.36999 1.00000 0.36999 1.00000
Ge4 Ge 0.63001 0.00000 0.63001 1.00000
Pb1 Pb 0.00000 0.50000 0.50000 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
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