Mn(Sn2As)4
Alexandria ALEXAlex-ID: agm097565415 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_543_spg12
Sn4As3 Sn MnAs
2025-06-16 19:40:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097565415).
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 agm097565415
data_agm097565415
_cell_length_a 5.26108
_cell_length_b 8.47651
_cell_length_c 8.47708
_cell_angle_alpha 60.01190
_cell_angle_beta 89.99395
_cell_angle_gamma 89.99937
_cell_volume 327.43201
_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 0.49871 0.99995 0.00003 1.00000
Sn1 Sn 0.68883 0.17575 0.17552 1.00000
Sn2 Sn 0.68870 0.64872 0.17560 1.00000
Sn3 Sn 0.69732 0.66654 0.66675 1.00000
Sn4 Sn 0.68895 0.17563 0.64884 1.00000
Sn5 Sn 0.31163 0.82425 0.35162 1.00000
Sn6 Sn 0.30287 0.33324 0.33345 1.00000
Sn7 Sn 0.31139 0.35153 0.82422 1.00000
Sn8 Sn 0.31160 0.82427 0.82405 1.00000
As1 As 0.99920 0.99999 0.00002 1.00000
As2 As 0.00041 0.50009 0.00001 1.00000
As3 As 0.00029 0.50010 0.49991 1.00000
As4 As 0.00010 0.99994 0.49999 1.00000
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