Ca4Zr3Np4
Alexandria ALEXAlex-ID: agm009352818 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_563_spg1
Ca Zr Np
2024-03-10 11:58:31.861931
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009352818).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm009352818
data_agm009352818
_cell_length_a 3.52609
_cell_length_b 7.73177
_cell_length_c 11.85659
_cell_angle_alpha 101.07140
_cell_angle_beta 99.17771
_cell_angle_gamma 92.74007
_cell_volume 312.14018
_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 0.75044 0.91417 0.63075 1.00000
Ca2 Ca 0.20832 0.06493 0.35384 1.00000
Ca3 Ca 0.22888 0.58561 0.37438 1.00000
Ca4 Ca 0.98310 0.40196 0.63002 1.00000
Zr1 Zr 0.41568 0.19180 0.87237 1.00000
Zr2 Zr 0.54664 0.72771 0.13833 1.00000
Zr3 Zr 0.00140 0.00751 0.04639 1.00000
Np1 Np 0.62990 0.31974 0.15928 1.00000
Np2 Np 0.82539 0.58013 0.88870 1.00000
Np3 Np 0.08111 0.42632 0.04881 1.00000
Np4 Np 0.32915 0.78011 0.85730 1.00000
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