TmMgIn4
Alexandria ALEXAlex-ID: agm003752111 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_169_spg123
MgIn6 Mg4In3 TmIn3
2022-04-18 16:16:14.719481
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003752111).
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 agm003752111
data_agm003752111
_cell_length_a 4.67724
_cell_length_b 4.68136
_cell_length_c 7.85107
_cell_angle_alpha 89.97735
_cell_angle_beta 89.98737
_cell_angle_gamma 90.00096
_cell_volume 171.90601
_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
Tm1 Tm 0.50133 0.49727 0.99814 1.00000
Mg1 Mg 0.00124 0.99733 0.49817 1.00000
In1 In 0.50135 0.99706 0.26676 1.00000
In2 In 0.50116 0.99740 0.72949 1.00000
In3 In 0.00142 0.49728 0.72916 1.00000
In4 In 0.00129 0.49737 0.26711 1.00000
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