Tm6InOs2
Alexandria ALEXAlex-ID: agm005706100 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_712_spg71
Tm5Os2 Tm3In2Os Tm8In3Os
2023-07-08 06:00:02.536993
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706100).
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 agm005706100
data_agm005706100
_cell_length_a 8.40081
_cell_length_b 8.40081
_cell_length_c 8.40081
_cell_angle_alpha 103.43403
_cell_angle_beta 112.40599
_cell_angle_gamma 112.73735
_cell_volume 452.64545
_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 0.53152 0.71616 0.81536 1.00000
Tm2 Tm 0.46848 0.28384 0.18464 1.00000
Tm3 Tm 0.09919 0.28384 0.81536 1.00000
Tm4 Tm 0.90081 0.71616 0.18464 1.00000
Tm5 Tm 0.79209 0.75687 0.54896 1.00000
Tm6 Tm 0.20791 0.24313 0.45104 1.00000
Tm7 Tm 0.20791 0.75687 0.96478 1.00000
Tm8 Tm 0.79209 0.24313 0.03522 1.00000
Tm9 Tm 0.68676 0.35443 0.66767 1.00000
Tm10 Tm 0.31324 0.64557 0.33233 1.00000
Tm11 Tm 0.31324 0.98091 0.66767 1.00000
Tm12 Tm 0.68676 0.01909 0.33233 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
Os1 Os 0.50000 0.37645 0.87645 1.00000
Os2 Os 0.50000 0.62355 0.12355 1.00000
Os3 Os 0.67223 1.00000 0.67223 1.00000
Os4 Os 0.32777 0.00000 0.32777 1.00000
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