Pr2Ni2Os2C
Alexandria ALEXAlex-ID: agm024467622 · 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_255_spg12
Pr2Ni7 Pr3Ni4 Pr7Os4C9 Os
2024-08-25 16:24:13.852092
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024467622).
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 agm024467622
data_agm024467622
_cell_length_a 5.56714
_cell_length_b 5.56714
_cell_length_c 7.21515
_cell_angle_alpha 58.98763
_cell_angle_beta 58.98763
_cell_angle_gamma 41.32464
_cell_volume 123.25907
_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
Pr1 Pr 0.57666 0.57666 0.19172 1.00000
Pr2 Pr 0.42334 0.42334 0.80828 1.00000
Ni1 Ni 0.12934 0.12934 0.83312 1.00000
Ni2 Ni 0.87066 0.87066 0.16688 1.00000
Os1 Os 0.20521 0.20521 0.43316 1.00000
Os2 Os 0.79479 0.79479 0.56684 1.00000
C1 C 0.00000 0.00000 0.50000 1.00000
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