Y3Mg(InTe2)4
Alexandria ALEXAlex-ID: agm004719082 · 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
AB3C4D8_70_spg166
YInTe2 MgTe InTe
2023-02-04 19:45:13.640445
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004719082).
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 agm004719082
data_agm004719082
_cell_length_a 8.80562
_cell_length_b 9.35529
_cell_length_c 8.80437
_cell_angle_alpha 118.07579
_cell_angle_beta 120.00468
_cell_angle_gamma 90.00000
_cell_volume 527.23974
_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 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.50000 0.50000 0.50000 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
Mg1 Mg 0.00000 0.50000 0.00000 1.00000
In1 In 0.50000 0.00000 0.00000 1.00000
In2 In 0.50000 0.00000 0.50000 1.00000
In3 In 0.00000 0.00000 0.00000 1.00000
In4 In 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.23782 0.72069 0.98289 1.00000
Te2 Te 0.23796 0.72082 0.47592 1.00000
Te3 Te 0.25798 0.27394 0.51596 1.00000
Te4 Te 0.74508 0.72069 0.98289 1.00000
Te5 Te 0.25492 0.27931 0.01711 1.00000
Te6 Te 0.74202 0.72606 0.48404 1.00000
Te7 Te 0.76204 0.27918 0.52408 1.00000
Te8 Te 0.76218 0.27931 0.01711 1.00000
获取直接链接