La2Mn2Cr3
Alexandria ALEXAlex-ID: agm009284474 · 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
A2B2C3_43_spg166
MnCr15 La Mn
2024-05-28 19:43:15.613360
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009284474).
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 agm009284474
data_agm009284474
_cell_length_a 4.11082
_cell_length_b 4.11082
_cell_length_c 10.09916
_cell_angle_alpha 78.23663
_cell_angle_beta 78.23663
_cell_angle_gamma 60.01148
_cell_volume 143.66154
_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
La1 La 0.11458 0.11458 0.65687 1.00000
La2 La 0.88542 0.88542 0.34313 1.00000
Mn1 Mn 0.36350 0.36350 0.90945 1.00000
Mn2 Mn 0.63650 0.63650 0.09055 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Cr2 Cr 0.28221 0.28221 0.15325 1.00000
Cr3 Cr 0.71779 0.71779 0.84675 1.00000
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