MnCoP
Alexandria ALEXAlex-ID: agm014905282 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_348_spg31
MnCoP
2024-09-25 02:19:04.888675
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014905282).
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 agm014905282
data_agm014905282
_cell_length_a 3.44843
_cell_length_b 5.85719
_cell_length_c 10.08280
_cell_angle_alpha 89.30282
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 203.63873
_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 0.25000 0.46582 0.11307 1.00000
Mn2 Mn 0.75000 0.02557 0.78763 1.00000
Mn3 Mn 0.25000 0.97443 0.21237 1.00000
Mn4 Mn 0.25000 0.35862 0.42280 1.00000
Mn5 Mn 0.75000 0.53418 0.88693 1.00000
Mn6 Mn 0.75000 0.64138 0.57720 1.00000
Co1 Co 0.75000 0.01386 0.40841 1.00000
Co2 Co 0.75000 0.14501 0.04195 1.00000
Co3 Co 0.25000 0.36696 0.70890 1.00000
Co4 Co 0.25000 0.85499 0.95805 1.00000
Co5 Co 0.75000 0.63304 0.29110 1.00000
Co6 Co 0.25000 0.98614 0.59159 1.00000
P1 P 0.75000 0.23671 0.58464 1.00000
P2 P 0.25000 0.73202 0.75127 1.00000
P3 P 0.25000 0.23747 0.91512 1.00000
P4 P 0.25000 0.76329 0.41536 1.00000
P5 P 0.75000 0.76253 0.08488 1.00000
P6 P 0.75000 0.26798 0.24873 1.00000
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