CrOs4Ru
Alexandria ALEXAlex-ID: agm005759396 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1202_spg15
CrOs2Ru5 CrOs7 CrOs3
2023-07-28 03:42:04.047862
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759396).
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 agm005759396
data_agm005759396
_cell_length_a 4.86670
_cell_length_b 6.87616
_cell_length_c 6.53144
_cell_angle_alpha 120.95559
_cell_angle_beta 114.86229
_cell_angle_gamma 83.39059
_cell_volume 168.62278
_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
Cr1 Cr 0.29763 0.37607 0.89590 1.00000
Cr2 Cr 0.70237 0.62393 0.10410 1.00000
Os1 Os 0.71182 0.28660 0.68848 1.00000
Os2 Os 0.48012 0.97737 0.18068 1.00000
Os3 Os 0.92860 0.71801 0.88059 1.00000
Os4 Os 0.30782 0.58419 0.64561 1.00000
Os5 Os 0.28818 0.71340 0.31152 1.00000
Os6 Os 0.51988 0.02263 0.81932 1.00000
Os7 Os 0.07140 0.28199 0.11941 1.00000
Os8 Os 0.69218 0.41581 0.35439 1.00000
Ru1 Ru 0.09686 0.11531 0.41285 1.00000
Ru2 Ru 0.90314 0.88469 0.58715 1.00000
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