CeMgIr
Alexandria ALEXAlex-ID: agm005648244 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_9347_spg11
CeMgIr
2023-06-17 20:28:50.523006
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648244).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005648244
data_agm005648244
_cell_length_a 4.05736
_cell_length_b 7.35571
_cell_length_c 12.77472
_cell_angle_alpha 89.96488
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 381.25849
_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 0.75000 0.54005 0.37555 1.00000
Ce2 Ce 0.25000 0.95327 0.71330 1.00000
Ce3 Ce 0.75000 0.04673 0.28670 1.00000
Ce4 Ce 0.75000 0.66444 0.08115 1.00000
Ce5 Ce 0.25000 0.45995 0.62445 1.00000
Ce6 Ce 0.25000 0.33556 0.91885 1.00000
Mg1 Mg 0.25000 0.00581 0.08454 1.00000
Mg2 Mg 0.25000 0.86487 0.46093 1.00000
Mg3 Mg 0.75000 0.62385 0.80066 1.00000
Mg4 Mg 0.75000 0.13513 0.53907 1.00000
Mg5 Mg 0.25000 0.37615 0.19934 1.00000
Mg6 Mg 0.75000 0.99419 0.91546 1.00000
Ir1 Ir 0.25000 0.74155 0.92460 1.00000
Ir2 Ir 0.75000 0.24484 0.74900 1.00000
Ir3 Ir 0.75000 0.74448 0.59047 1.00000
Ir4 Ir 0.75000 0.25845 0.07540 1.00000
Ir5 Ir 0.25000 0.25552 0.40953 1.00000
Ir6 Ir 0.25000 0.75516 0.25100 1.00000
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