Tm2H7C
Alexandria ALEXAlex-ID: agm006201558 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1487_spg6
TmH3 H4C C
2023-11-05 06:15:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201558).
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 agm006201558
data_agm006201558
_cell_length_a 6.83174
_cell_length_b 5.86131
_cell_length_c 5.36272
_cell_angle_alpha 119.83048
_cell_angle_beta 64.71500
_cell_angle_gamma 149.13125
_cell_volume 95.57844
_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 0.93212 0.21488 0.75942 1.00000
H2 H 0.67244 0.69880 0.14088 1.00000
H3 H 0.41399 0.69893 0.75993 1.00000
H4 H 0.17267 0.61191 0.45880 1.00000
H5 H 0.67271 0.39769 0.64195 1.00000
H6 H 0.17318 0.84156 0.20303 1.00000
H7 H 0.17579 0.16803 0.59986 1.00000
C1 C 0.17404 0.35720 0.80585 1.00000
Tm1 Tm 0.17248 0.97123 0.89032 1.00000
Tm2 Tm 0.67296 0.09716 0.20812 1.00000
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