LiTe2H7
Alexandria ALEXAlex-ID: agm006199954 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1329_spg1
LiTeH4 TeH2 H2
2023-11-21 03:23:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006199954).
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 agm006199954
data_agm006199954
_cell_length_a 4.76318
_cell_length_b 4.53284
_cell_length_c 9.16048
_cell_angle_alpha 119.14316
_cell_angle_beta 93.94779
_cell_angle_gamma 94.86609
_cell_volume 170.73642
_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
H1 H 0.44573 0.47493 0.34411 1.00000
H2 H 0.00892 0.64978 0.61509 1.00000
H3 H 0.38357 0.57837 0.85284 1.00000
H4 H 0.92367 0.98702 0.04807 1.00000
H5 H 0.56038 0.09935 0.63431 1.00000
H6 H 0.05280 0.08326 0.11425 1.00000
H7 H 0.91236 0.48268 0.56533 1.00000
Te1 Te 0.52460 0.24387 0.84435 1.00000
Te2 Te 0.47787 0.80916 0.31037 1.00000
Li1 Li 0.94248 0.64897 0.13944 1.00000
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