Ca2CeNpSb4
Alexandria ALEXAlex-ID: agm004842702 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
CaCe2Sb3 Ca5Sb4 Ce3Sb4 Np4Sb5
2022-07-18 01:10:32.582266
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004842702).
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 agm004842702
data_agm004842702
_cell_length_a 4.51276
_cell_length_b 7.80926
_cell_length_c 7.71358
_cell_angle_alpha 109.68632
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 255.94805
_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 0.50000 0.00000 0.50000 1.00000
Ca2 Ca 0.00000 0.50000 0.50000 1.00000
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.24177 0.23438 1.00000
Sb2 Sb 0.50000 0.75823 0.76562 1.00000
Sb3 Sb 0.00000 0.25135 0.76349 1.00000
Sb4 Sb 0.00000 0.74865 0.23651 1.00000
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