Ce3ZnC
Alexandria ALEXAlex-ID: agm005754913 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_5018_spg12
CeZn Ce Ce2C3
2023-07-03 05:13:14.170380
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754913).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005754913
data_agm005754913
_cell_length_a 5.24400
_cell_length_b 6.22042
_cell_length_c 8.25035
_cell_angle_alpha 64.53721
_cell_angle_beta 71.46980
_cell_angle_gamma 65.06972
_cell_volume 217.25533
_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 0.85883 0.65374 0.62860 1.00000
Ce2 Ce 0.14117 0.34626 0.37140 1.00000
Ce3 Ce 0.63539 0.65350 0.07571 1.00000
Ce4 Ce 0.36461 0.34650 0.92429 1.00000
Ce5 Ce 0.88506 0.00317 0.22671 1.00000
Ce6 Ce 0.11494 0.99683 0.77329 1.00000
Zn1 Zn 0.40565 0.74957 0.43913 1.00000
Zn2 Zn 0.59435 0.25043 0.56087 1.00000
C1 C 0.12604 0.67343 0.07450 1.00000
C2 C 0.87396 0.32657 0.92550 1.00000
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