Tm2MoH7
Alexandria ALEXAlex-ID: agm006205482 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_484_spg166
MoH TmH3
2024-02-01 10:11:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205482).
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 agm006205482
data_agm006205482
_cell_length_a 4.93033
_cell_length_b 4.93043
_cell_length_c 6.70943
_cell_angle_alpha 111.54522
_cell_angle_beta 68.44909
_cell_angle_gamma 119.99955
_cell_volume 127.91522
_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 0.10372 0.77446 0.15467 1.00000
H2 H 0.84276 0.93704 0.83896 1.00000
H3 H 0.39201 0.48635 0.83904 1.00000
H4 H 0.10378 0.22505 0.15448 1.00000
H5 H 0.47332 0.85575 0.49681 1.00000
H6 H 0.55442 0.22510 0.15459 1.00000
H7 H 0.84269 0.48641 0.83916 1.00000
Tm1 Tm 0.36112 0.96790 0.83318 1.00000
Tm2 Tm 0.58535 0.74359 0.16044 1.00000
Mo1 Mo 0.97322 0.35574 0.99684 1.00000
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