Ac3Nd2Cd3
Alexandria ALEXAlex-ID: agm005577832 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_16_spg71
NdCd Ac AcCd
2023-06-05 13:14:21.365456
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005577832).
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 agm005577832
data_agm005577832
_cell_length_a 3.99777
_cell_length_b 5.80055
_cell_length_c 12.32767
_cell_angle_alpha 103.60728
_cell_angle_beta 99.33149
_cell_angle_gamma 90.00000
_cell_volume 273.95156
_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
Ac1 Ac 0.37682 0.37682 0.75363 1.00000
Ac2 Ac 0.62318 0.62318 0.24637 1.00000
Ac3 Ac 0.50000 0.00000 0.00000 1.00000
Nd1 Nd 0.26503 0.76503 0.53006 1.00000
Nd2 Nd 0.73497 0.23497 0.46994 1.00000
Cd1 Cd 0.87580 0.87580 0.75159 1.00000
Cd2 Cd 0.00000 0.50000 0.00000 1.00000
Cd3 Cd 0.12420 0.12420 0.24841 1.00000
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