Tm6Cu3Ir2Os
Alexandria ALEXAlex-ID: agm034243487 · 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
AB2C3D6_1075_spg71
Tm5Ir3 Tm4Cu3Os TmCu2 TmOs2
2025-03-14 13:37:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034243487).
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 agm034243487
data_agm034243487
_cell_length_a 8.29952
_cell_length_b 8.29952
_cell_length_c 8.29952
_cell_angle_alpha 146.30735
_cell_angle_beta 131.77876
_cell_angle_gamma 60.11364
_cell_volume 234.31457
_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 0.58464 0.33376 0.25087 1.00000
Tm2 Tm 0.91711 0.66624 0.25087 1.00000
Tm3 Tm 0.41536 0.66624 0.74913 1.00000
Tm4 Tm 0.24944 0.00000 0.24944 1.00000
Tm5 Tm 0.75056 0.00000 0.75056 1.00000
Tm6 Tm 0.08289 0.33376 0.74913 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Cu2 Cu 0.83629 0.83629 0.00000 1.00000
Cu3 Cu 0.16371 0.16371 0.00000 1.00000
Ir1 Ir 0.33259 0.83259 0.50000 1.00000
Ir2 Ir 0.66741 0.16741 0.50000 1.00000
Os1 Os 0.00000 0.50000 0.50000 1.00000
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