TmCr2SnH8
Alexandria ALEXAlex-ID: agm007454366 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_282_spg2
CrH H2 TmH3 SnH2
2024-10-22 02:08:45.754117
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007454366).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007454366
data_agm007454366
_cell_length_a 4.74471
_cell_length_b 4.74471
_cell_length_c 6.10818
_cell_angle_alpha 74.15711
_cell_angle_beta 74.15711
_cell_angle_gamma 49.52451
_cell_volume 99.76168
_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
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
Cr1 Cr 0.72990 0.72990 0.34972 1.00000
Cr2 Cr 0.27010 0.27010 0.65028 1.00000
Sn1 Sn 0.00000 0.00000 0.50000 1.00000
H1 H 0.10081 0.10081 0.87488 1.00000
H2 H 0.30139 0.30139 0.35306 1.00000
H3 H 0.89919 0.89919 0.12512 1.00000
H4 H 0.69861 0.69861 0.64694 1.00000
H5 H 0.42754 0.90729 0.17246 1.00000
H6 H 0.57246 0.09271 0.82754 1.00000
H7 H 0.90729 0.42754 0.17246 1.00000
H8 H 0.09271 0.57246 0.82754 1.00000
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