Ca(Ac3Nd)2
Alexandria ALEXAlex-ID: agm005656720 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1747_spg12
Ca Ac Nd
2023-07-06 14:06:34.347051
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656720).
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 agm005656720
data_agm005656720
_cell_length_a 6.52354
_cell_length_b 6.81668
_cell_length_c 10.18441
_cell_angle_alpha 70.44417
_cell_angle_beta 81.20929
_cell_angle_gamma 62.84467
_cell_volume 379.72389
_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 0.00000 0.00000 0.50000 1.00000
Ac1 Ac 0.16968 0.83693 0.16800 1.00000
Ac2 Ac 0.83032 0.49507 0.16800 1.00000
Ac3 Ac 0.83032 0.16307 0.83200 1.00000
Ac4 Ac 0.16968 0.50493 0.83200 1.00000
Ac5 Ac 0.34487 0.31041 0.50000 1.00000
Ac6 Ac 0.65513 0.68959 0.50000 1.00000
Nd1 Nd 0.50000 0.83129 0.83742 1.00000
Nd2 Nd 0.50000 0.16871 0.16258 1.00000
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