CeMn11NbH
Alexandria ALEXAlex-ID: agm006792004 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD11_2_spg44
CeH2 Mn2Nb Ce Mn
2025-05-27 12:56:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006792004).
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 agm006792004
data_agm006792004
_cell_length_a 6.41768
_cell_length_b 6.41768
_cell_length_c 6.41768
_cell_angle_alpha 136.09347
_cell_angle_beta 98.88410
_cell_angle_gamma 97.18605
_cell_volume 169.98754
_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 0.49542 0.50000 0.99542 1.00000
Mn1 Mn 0.27095 0.00000 0.27095 1.00000
Mn2 Mn 0.72163 0.00000 0.72163 1.00000
Mn3 Mn 0.72764 0.22485 0.50279 1.00000
Mn4 Mn 0.27794 0.77515 0.50279 1.00000
Mn5 Mn 0.00441 0.50499 0.99483 1.00000
Mn6 Mn 0.00441 0.00957 0.49941 1.00000
Mn7 Mn 0.48984 0.99043 0.99483 1.00000
Mn8 Mn 0.48984 0.49501 0.49941 1.00000
Mn9 Mn 0.15637 0.50000 0.65637 1.00000
Mn10 Mn 0.13162 0.13306 0.99856 1.00000
Mn11 Mn 0.86550 0.86694 0.99856 1.00000
Nb1 Nb 0.86804 0.50000 0.36804 1.00000
H1 H 0.49631 0.00000 0.49631 1.00000
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