Ho(Mn2Cr)4
Alexandria ALEXAlex-ID: agm062531750 · 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
AB4C8_375_spg139
MnCr15 Ho Ho2Mn17
2025-03-18 11:01:28
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm062531750).
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 agm062531750
data_agm062531750
_cell_length_a 6.32860
_cell_length_b 6.32860
_cell_length_c 6.32860
_cell_angle_alpha 97.79112
_cell_angle_beta 97.79112
_cell_angle_gamma 136.79223
_cell_volume 161.34496
_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
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.00000 0.50000 0.00000 1.00000
Mn2 Mn 0.50000 0.00000 0.00000 1.00000
Mn3 Mn 0.50000 0.50000 0.50000 1.00000
Mn4 Mn 0.00000 0.00000 0.50000 1.00000
Mn5 Mn 0.50000 0.72513 0.22513 1.00000
Mn6 Mn 0.50000 0.27487 0.77487 1.00000
Mn7 Mn 0.72513 0.50000 0.22513 1.00000
Mn8 Mn 0.27487 0.50000 0.77487 1.00000
Cr1 Cr 0.00000 0.63626 0.63626 1.00000
Cr2 Cr 0.00000 0.36374 0.36374 1.00000
Cr3 Cr 0.63626 0.00000 0.63626 1.00000
Cr4 Cr 0.36374 0.00000 0.36374 1.00000
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