Ac2Ce2Sb2C
Alexandria ALEXAlex-ID: agm024135574 · 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
Ce3SbC Ce2C3 AcSb Ac
2025-04-30 05:44:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024135574).
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 agm024135574
data_agm024135574
_cell_length_a 4.88564
_cell_length_b 4.88564
_cell_length_c 9.40864
_cell_angle_alpha 74.97635
_cell_angle_beta 105.02365
_cell_angle_gamma 90.01279
_cell_volume 208.94813
_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
Ac1 Ac 0.16721 0.83279 0.83507 1.00000
Ac2 Ac 0.83279 0.16721 0.16493 1.00000
Ce1 Ce 0.00000 0.50000 0.50000 1.00000
Ce2 Ce 0.50000 0.00000 0.50000 1.00000
Sb1 Sb 0.36736 0.63264 0.23410 1.00000
Sb2 Sb 0.63264 0.36736 0.76590 1.00000
C1 C 0.00000 0.00000 0.50000 1.00000
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