Ca2Mn2CrSi2
Alexandria ALEXAlex-ID: agm024721253 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D2_16_spg166
Mn3Si Ca2Si Cr3Si
2025-06-27 16:03:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024721253).
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 agm024721253
data_agm024721253
_cell_length_a 10.44571
_cell_length_b 10.44571
_cell_length_c 10.44571
_cell_angle_alpha 21.87376
_cell_angle_beta 21.87376
_cell_angle_gamma 21.87376
_cell_volume 138.67081
_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
Ca1 Ca 0.89099 0.89099 0.89099 1.00000
Ca2 Ca 0.10901 0.10901 0.10901 1.00000
Mn1 Mn 0.36071 0.36071 0.36071 1.00000
Mn2 Mn 0.63929 0.63929 0.63929 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.28396 0.28396 0.28396 1.00000
Si2 Si 0.71604 0.71604 0.71604 1.00000
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