Ho3(NpTi)4
Alexandria ALEXAlex-ID: agm010019447 · 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
A3B4C4_0_spg71
Ho Np Ti
2024-03-09 08:26:49.612837
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010019447).
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 agm010019447
data_agm010019447
_cell_length_a 3.21763
_cell_length_b 5.77756
_cell_length_c 17.85468
_cell_angle_alpha 59.04303
_cell_angle_beta 73.95636
_cell_angle_gamma 58.78269
_cell_volume 243.40377
_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
Ho1 Ho 0.77879 0.54455 0.67914 1.00000
Ho2 Ho 0.63816 0.86930 0.26853 1.00000
Ho3 Ho 0.21007 0.70656 0.97375 1.00000
Np1 Np 0.74253 0.86944 0.79019 1.00000
Np2 Np 0.67870 0.54518 0.15720 1.00000
Np3 Np 0.13467 0.54757 0.46203 1.00000
Np4 Np 0.30156 0.86876 0.48562 1.00000
Ti1 Ti 0.31895 0.34752 0.87609 1.00000
Ti2 Ti 0.63271 0.24769 0.34558 1.00000
Ti3 Ti 0.77724 0.16735 0.60193 1.00000
Ti4 Ti 0.09977 0.06576 0.07160 1.00000
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