Sm2TmIr9
Alexandria ALEXAlex-ID: agm003539733 · 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
AB2C9_0_spg166
TmIr2 Ir SmIr2
2022-03-19 04:10:09.297234
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003539733).
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 agm003539733
data_agm003539733
_cell_length_a 5.31943
_cell_length_b 5.31943
_cell_length_c 9.37267
_cell_angle_alpha 73.51446
_cell_angle_beta 73.51446
_cell_angle_gamma 60.00000
_cell_volume 217.00011
_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
Sm1 Sm 0.86087 0.86087 0.41739 1.00000
Sm2 Sm 0.13913 0.13913 0.58261 1.00000
Tm1 Tm 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.66759 0.66759 0.99723 1.00000
Ir2 Ir 0.33241 0.33241 0.00277 1.00000
Ir3 Ir 0.50000 0.50000 0.50000 1.00000
Ir4 Ir 0.42001 0.42001 0.24308 1.00000
Ir5 Ir 0.91691 0.42001 0.24308 1.00000
Ir6 Ir 0.42001 0.91691 0.24308 1.00000
Ir7 Ir 0.57999 0.57999 0.75692 1.00000
Ir8 Ir 0.57999 0.08309 0.75692 1.00000
Ir9 Ir 0.08309 0.57999 0.75692 1.00000
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