Y6In2C
Alexandria ALEXAlex-ID: agm005777301 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1731_spg139
Y9In3C2 Y2In Y
2023-07-06 15:11:05.332598
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777301).
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 agm005777301
data_agm005777301
_cell_length_a 6.95231
_cell_length_b 6.95230
_cell_length_c 6.95297
_cell_angle_alpha 59.99966
_cell_angle_beta 59.99967
_cell_angle_gamma 60.00700
_cell_volume 237.64785
_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
Y1 Y 0.25492 0.25492 0.74453 1.00000
Y2 Y 0.25521 0.74523 0.25475 1.00000
Y3 Y 0.74479 0.25477 0.74525 1.00000
Y4 Y 0.74523 0.25521 0.25475 1.00000
Y5 Y 0.25477 0.74479 0.74525 1.00000
Y6 Y 0.74508 0.74508 0.25547 1.00000
In1 In 0.24999 0.24999 0.24981 1.00000
In2 In 0.75001 0.75001 0.75019 1.00000
C1 C 0.50000 0.50000 0.50000 1.00000
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