Ac2YTe3
Alexandria ALEXAlex-ID: agm005643396 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_2914_spg15
YTe AcTe
2023-08-25 10:16:18.243773
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643396).
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 agm005643396
data_agm005643396
_cell_length_a 8.03310
_cell_length_b 8.03310
_cell_length_c 14.38110
_cell_angle_alpha 100.97245
_cell_angle_beta 100.97246
_cell_angle_gamma 108.57258
_cell_volume 831.61297
_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
Ac1 Ac 0.99715 0.49715 0.99431 1.00000
Ac2 Ac 0.42055 0.42055 0.84110 1.00000
Ac3 Ac 0.82945 0.32945 0.65890 1.00000
Ac4 Ac 0.25285 0.25285 0.50569 1.00000
Ac5 Ac 0.74715 0.74715 0.49431 1.00000
Ac6 Ac 0.67055 0.17055 0.34110 1.00000
Ac7 Ac 0.57945 0.57945 0.15890 1.00000
Ac8 Ac 0.50285 0.00285 0.00569 1.00000
Y1 Y 0.91750 0.91750 0.83500 1.00000
Y2 Y 0.33250 0.83250 0.66500 1.00000
Y3 Y 0.16750 0.66750 0.33500 1.00000
Y4 Y 0.08250 0.08250 0.16500 1.00000
Te1 Te 0.16420 0.68219 0.82539 1.00000
Te2 Te 0.66119 0.14320 0.82539 1.00000
Te3 Te 0.08580 0.06781 0.67461 1.00000
Te4 Te 0.58881 0.60680 0.67461 1.00000
Te5 Te 0.02236 0.52236 0.50000 1.00000
Te6 Te 0.47764 0.97764 0.50000 1.00000
Te7 Te 0.39320 0.41119 0.32539 1.00000
Te8 Te 0.93219 0.91420 0.32539 1.00000
Te9 Te 0.85680 0.33881 0.17461 1.00000
Te10 Te 0.31781 0.83580 0.17461 1.00000
Te11 Te 0.22764 0.22764 1.00000 1.00000
Te12 Te 0.77236 0.77236 0.00000 1.00000
