Y2Al2Os2C
Alexandria ALEXAlex-ID: agm004544993 · 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
AB2C2D2_14_spg12
Y2OsC2 Y6Al16Os7 Al2Os YOs2
2022-06-22 00:40:33.207465
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004544993).
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 agm004544993
data_agm004544993
_cell_length_a 4.14619
_cell_length_b 5.98562
_cell_length_c 5.99852
_cell_angle_alpha 72.70062
_cell_angle_beta 69.78150
_cell_angle_gamma 69.73604
_cell_volume 128.35238
_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
Y1 Y 0.56126 0.16722 0.71026 1.00000
Y2 Y 0.43874 0.83278 0.28974 1.00000
Al1 Al 0.15327 0.39336 0.30009 1.00000
Al2 Al 0.84673 0.60664 0.69991 1.00000
Os1 Os 0.19931 0.69698 0.90440 1.00000
Os2 Os 0.80069 0.30302 0.09560 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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