MnCr3
Alexandria ALEXAlex-ID: agm015244352 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_2141_spg6
MnCr15 Mn
2024-10-15 10:14:30.113516
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015244352).
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 agm015244352
data_agm015244352
_cell_length_a 4.02136
_cell_length_b 4.96399
_cell_length_c 6.96506
_cell_angle_alpha 89.95195
_cell_angle_beta 89.99185
_cell_angle_gamma 89.99316
_cell_volume 139.03652
_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
Mn1 Mn 0.72212 0.56219 0.57318 1.00000
Mn2 Mn 0.22211 0.56239 0.07324 1.00000
Mn3 Mn 0.22214 0.06244 0.07324 1.00000
Cr1 Cr 0.72203 0.89059 0.90461 1.00000
Cr2 Cr 0.72209 0.23411 0.24160 1.00000
Cr3 Cr 0.22209 0.89188 0.40792 1.00000
Cr4 Cr 0.22213 0.39491 0.40388 1.00000
Cr5 Cr 0.72199 0.38972 0.90906 1.00000
Cr6 Cr 0.72216 0.73492 0.23714 1.00000
Cr7 Cr 0.22198 0.72982 0.74247 1.00000
Cr8 Cr 0.22202 0.23274 0.73834 1.00000
Cr9 Cr 0.72205 0.06226 0.57306 1.00000
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