Ca2NpPaPt4
Alexandria ALEXAlex-ID: agm092860123 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_163_spg10
Ca5PaPt6 PaPt2 NpPt Np
2025-06-30 19:55:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm092860123).
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 agm092860123
data_agm092860123
_cell_length_a 5.77970
_cell_length_b 4.31957
_cell_length_c 7.86084
_cell_angle_alpha 90.00000
_cell_angle_beta 109.34170
_cell_angle_gamma 90.00000
_cell_volume 185.17597
_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
Ca1 Ca 0.02324 0.00000 0.06376 1.00000
Ca2 Ca 0.47437 0.50000 0.93515 1.00000
Np1 Np 0.02814 0.00000 0.57408 1.00000
Pa1 Pa 0.47368 0.50000 0.42936 1.00000
Pt1 Pt 0.55025 0.00000 0.67703 1.00000
Pt2 Pt 0.58465 0.00000 0.23360 1.00000
Pt3 Pt 0.90949 0.50000 0.76667 1.00000
Pt4 Pt 0.95617 0.50000 0.32036 1.00000
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