Zn4Cr3Os4
Alexandria ALEXAlex-ID: agm009776980 · 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
A3B4C4_15_spg47
CrOs3 Cr Zn41Os8
2024-07-19 01:17:11.652828
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009776980).
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 agm009776980
data_agm009776980
_cell_length_a 14.20734
_cell_length_b 14.20734
_cell_length_c 14.20734
_cell_angle_alpha 169.43040
_cell_angle_beta 163.09201
_cell_angle_gamma 19.98103
_cell_volume 152.97316
_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
Zn1 Zn 0.59045 0.59045 0.00000 1.00000
Zn2 Zn 0.76602 0.26602 0.50000 1.00000
Zn3 Zn 0.23398 0.73398 0.50000 1.00000
Zn4 Zn 0.40955 0.40955 0.00000 1.00000
Cr1 Cr 0.14029 0.14029 0.00000 1.00000
Cr2 Cr 0.85971 0.85971 0.00000 1.00000
Cr3 Cr 0.50000 0.00000 0.50000 1.00000
Os1 Os 0.04468 0.54468 0.50000 1.00000
Os2 Os 0.95532 0.45532 0.50000 1.00000
Os3 Os 0.32201 0.32201 0.00000 1.00000
Os4 Os 0.67799 0.67799 0.00000 1.00000
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