Nd2Ni2Os2C
Alexandria ALEXAlex-ID: agm024405240 · 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_261_spg71
Nd15Ni32 Nd3Ni4 Nd7Os4C9 Os
2024-08-25 16:07:18.231522
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024405240).
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 agm024405240
data_agm024405240
_cell_length_a 5.56641
_cell_length_b 5.56641
_cell_length_c 7.17079
_cell_angle_alpha 58.84792
_cell_angle_beta 58.84792
_cell_angle_gamma 41.01268
_cell_volume 121.54837
_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
Nd1 Nd 0.57614 0.57614 0.19210 1.00000
Nd2 Nd 0.42386 0.42386 0.80790 1.00000
Ni1 Ni 0.12925 0.12925 0.83423 1.00000
Ni2 Ni 0.87075 0.87075 0.16577 1.00000
Os1 Os 0.20538 0.20538 0.43117 1.00000
Os2 Os 0.79462 0.79462 0.56883 1.00000
C1 C 0.00000 0.00000 0.50000 1.00000
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