Re2NiP8
Alexandria ALEXAlex-ID: agm005508651 · 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
AB2C8_169_spg2
Re2P5 NiP2 ReP4
2023-03-15 10:49:39.810787
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508651).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005508651
data_agm005508651
_cell_length_a 5.86396
_cell_length_b 6.53691
_cell_length_c 5.69197
_cell_angle_alpha 85.73008
_cell_angle_beta 117.32307
_cell_angle_gamma 102.99745
_cell_volume 188.77264
_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
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
P1 P 0.04471 0.14545 0.64218 1.00000
P2 P 0.64713 0.14562 0.96622 1.00000
P3 P 0.33148 0.24854 0.28788 1.00000
P4 P 0.95529 0.85455 0.35782 1.00000
P5 P 0.35287 0.85438 0.03378 1.00000
P6 P 0.66852 0.75146 0.71212 1.00000
P7 P 0.27144 0.70958 0.66577 1.00000
P8 P 0.72856 0.29042 0.33423 1.00000
Re1 Re 0.42377 0.39300 0.68804 1.00000
Re2 Re 0.57623 0.60700 0.31196 1.00000
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