Tm2AgH7
Alexandria ALEXAlex-ID: agm006200515 · 空间群: R3 (#146)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_484_spg166
TmH3 H2 Ag
2023-10-15 19:29:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200515).
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 agm006200515
data_agm006200515
_cell_length_a 5.38655
_cell_length_b 5.38475
_cell_length_c 6.42312
_cell_angle_alpha 114.70690
_cell_angle_beta 65.26796
_cell_angle_gamma 119.99691
_cell_volume 141.29176
_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 0.21471 0.78257 0.14381 1.00000
H2 H 0.71840 0.91851 0.84508 1.00000
H3 H 0.41097 0.38698 0.84509 1.00000
H4 H 0.01199 0.11452 0.14392 1.00000
H5 H 0.47503 0.85276 0.48894 1.00000
H6 H 0.54631 0.31688 0.14418 1.00000
H7 H 0.94234 0.61068 0.84529 1.00000
Tm1 Tm 0.35515 0.97408 0.85118 1.00000
Tm2 Tm 0.59702 0.73190 0.12563 1.00000
Ag1 Ag 0.96046 0.36851 0.03506 1.00000
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