MgSc4In
Alexandria ALEXAlex-ID: agm003736748 · 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
ABC4_26_spg166
Sc3In MgSc
2022-04-18 16:43:39.976959
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003736748).
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 agm003736748
data_agm003736748
_cell_length_a 4.85803
_cell_length_b 4.85919
_cell_length_c 8.59367
_cell_angle_alpha 73.57785
_cell_angle_beta 73.58149
_cell_angle_gamma 60.00795
_cell_volume 166.07427
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.62349 0.62335 0.12968 1.00000
Sc2 Sc 0.37651 0.37665 0.87032 1.00000
Sc3 Sc 0.12466 0.12459 0.62609 1.00000
Sc4 Sc 0.87534 0.87541 0.37391 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
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