Er2TlH7
Alexandria ALEXAlex-ID: agm006204331 · 空间群: P3m1 (#156)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_863_spg1
TlH3 ErH3 Tl
2023-11-09 23:33:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006204331).
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 agm006204331
data_agm006204331
_cell_length_a 3.60225
_cell_length_b 3.60230
_cell_length_c 11.71078
_cell_angle_alpha 117.33357
_cell_angle_beta 62.67781
_cell_angle_gamma 120.01095
_cell_volume 111.58180
_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 0.83786 0.59070 0.39801 1.00000
H2 H 0.18798 0.24112 0.71664 1.00000
H3 H 0.39002 0.03955 0.84811 1.00000
H4 H 0.04460 0.38382 0.18980 1.00000
H5 H 0.38779 0.04097 0.51525 1.00000
H6 H 0.26794 0.16054 0.30074 1.00000
H7 H 0.94150 0.48742 0.62880 1.00000
Tl1 Tl 0.95506 0.47548 0.95143 1.00000
Er1 Er 0.61548 0.81343 0.62150 1.00000
Er2 Er 0.60415 0.82435 0.29789 1.00000
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