La(Re2C)2
Alexandria ALEXAlex-ID: agm003461908 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_971_spg65
Re2C La12(ReC3)5 Re
2022-02-16 07:13:03.365896
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003461908).
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 agm003461908
data_agm003461908
_cell_length_a 3.94806
_cell_length_b 3.96301
_cell_length_c 7.40234
_cell_angle_alpha 105.52663
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 111.59180
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Re1 Re 0.50000 0.82117 0.64233 1.00000
Re2 Re 0.00000 0.68767 0.37533 1.00000
Re3 Re 0.50000 0.17883 0.35767 1.00000
Re4 Re 0.00000 0.31233 0.62467 1.00000
C1 C 0.50000 0.63257 0.26515 1.00000
C2 C 0.50000 0.36743 0.73485 1.00000
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