Tm2Pa2Os3
Alexandria ALEXAlex-ID: agm003306153 · 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
A2B2C3_201_spg12
Tm2PaOs2 PaOs
2022-02-04 00:23:44.653402
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003306153).
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 agm003306153
data_agm003306153
_cell_length_a 4.74318
_cell_length_b 7.03163
_cell_length_c 5.16698
_cell_angle_alpha 93.94383
_cell_angle_beta 90.02435
_cell_angle_gamma 109.72255
_cell_volume 161.78597
_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 0.59236 0.18455 0.80938 1.00000
Tm2 Tm 0.40764 0.81545 0.19062 1.00000
Pa1 Pa 0.84252 0.68488 0.65827 1.00000
Pa2 Pa 0.15748 0.31512 0.34173 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.77751 0.55505 0.18477 1.00000
Os3 Os 0.22249 0.44495 0.81523 1.00000
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