Ce2Ho2Pb2O
Alexandria ALEXAlex-ID: agm024393462 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_132_spg139
Ce2Pb Ce5Pb4 Ho5Pb3 Ho2O3
2025-05-25 23:32:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024393462).
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 agm024393462
data_agm024393462
_cell_length_a 4.68150
_cell_length_b 4.68150
_cell_length_c 9.13296
_cell_angle_alpha 75.13379
_cell_angle_beta 104.86621
_cell_angle_gamma 90.00266
_cell_volume 186.52249
_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 0.17084 0.82916 0.34151 1.00000
Ce2 Ce 0.82916 0.17084 0.65849 1.00000
Ho1 Ho 0.00000 0.50000 0.00000 1.00000
Ho2 Ho 0.50000 0.00000 0.00000 1.00000
Pb1 Pb 0.36529 0.63471 0.73077 1.00000
Pb2 Pb 0.63471 0.36529 0.26923 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
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