HoTmOs
Alexandria ALEXAlex-ID: agm005656244 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_10154_spg11
Tm5Os2 Ho5Os2 TmOs2
2023-06-17 16:22:33.984102
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656244).
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 agm005656244
data_agm005656244
_cell_length_a 3.45552
_cell_length_b 5.09209
_cell_length_c 8.10551
_cell_angle_alpha 89.99989
_cell_angle_beta 102.30753
_cell_angle_gamma 90.00000
_cell_volume 139.34525
_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
Ho1 Ho 0.92835 0.25000 0.85670 1.00000
Ho2 Ho 0.07165 0.75000 0.14330 1.00000
Tm1 Tm 0.20996 0.25000 0.41991 1.00000
Tm2 Tm 0.79004 0.75000 0.58009 1.00000
Os1 Os 0.57452 0.25000 0.14905 1.00000
Os2 Os 0.42548 0.75000 0.85095 1.00000
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