Ca5(NdSm)2
Alexandria ALEXAlex-ID: agm011985018 · 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
A2B2C5_281_spg12
Nd3Sm5 Ca Nd
2024-06-29 00:32:28.527660
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011985018).
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 agm011985018
data_agm011985018
_cell_length_a 10.06065
_cell_length_b 10.06065
_cell_length_c 11.57271
_cell_angle_alpha 54.23599
_cell_angle_beta 54.23599
_cell_angle_gamma 21.08298
_cell_volume 338.81801
_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 0.88973 0.88973 0.66542 1.00000
Ca2 Ca 0.11027 0.11027 0.33458 1.00000
Ca3 Ca 0.77915 0.77915 0.33025 1.00000
Ca4 Ca 0.22085 0.22085 0.66975 1.00000
Ca5 Ca 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.33247 0.33247 0.98870 1.00000
Nd2 Nd 0.66753 0.66753 0.01130 1.00000
Sm1 Sm 0.44767 0.44767 0.32672 1.00000
Sm2 Sm 0.55233 0.55233 0.67328 1.00000
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