Be2Te
Alexandria ALEXAlex-ID: agm005509922 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_2374_spg141
BeTe Be
2023-03-23 10:42:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509922).
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
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# CIF generated by HEAS from Alexandria entry agm005509922
data_agm005509922
_cell_length_a 15.85989
_cell_length_b 15.85989
_cell_length_c 15.85989
_cell_angle_alpha 166.53791
_cell_angle_beta 166.53791
_cell_angle_gamma 19.08259
_cell_volume 216.18786
_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
Be1 Be 0.75015 0.75015 1.00000 1.00000
Be2 Be 0.24989 0.24989 0.00000 1.00000
Be3 Be 0.00011 0.50011 0.50000 1.00000
Be4 Be 0.49989 0.99989 0.50000 1.00000
Be5 Be 0.53535 0.53535 1.00000 1.00000
Be6 Be 0.46465 0.46465 0.00000 1.00000
Be7 Be 0.78535 0.28535 0.50000 1.00000
Be8 Be 0.71465 0.21465 0.50000 1.00000
Te1 Te 0.93596 0.93596 0.00000 1.00000
Te2 Te 0.06404 0.06404 1.00000 1.00000
Te3 Te 0.18596 0.68596 0.50000 1.00000
Te4 Te 0.31404 0.81404 0.50000 1.00000
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