Ca2Ac4Nd5
Alexandria ALEXAlex-ID: agm005644532 · 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
A2B4C5_483_spg12
Ca Ac Nd
2023-06-21 12:41:27.936516
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644532).
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 agm005644532
data_agm005644532
_cell_length_a 3.78541
_cell_length_b 9.85612
_cell_length_c 13.04401
_cell_angle_alpha 112.34938
_cell_angle_beta 98.34315
_cell_angle_gamma 90.00000
_cell_volume 444.53403
_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 0.88267 0.19497 0.76535 1.00000
Ca2 Ca 0.11733 0.80503 0.23465 1.00000
Ac1 Ac 0.68559 0.53717 0.37118 1.00000
Ac2 Ac 0.03910 0.36899 0.07819 1.00000
Ac3 Ac 0.31441 0.46283 0.62882 1.00000
Ac4 Ac 0.96090 0.63101 0.92181 1.00000
Nd1 Nd 0.13047 0.17993 0.26094 1.00000
Nd2 Nd 0.86953 0.82007 0.73906 1.00000
Nd3 Nd 0.26809 0.87643 0.53618 1.00000
Nd4 Nd 0.50000 0.00000 0.00000 1.00000
Nd5 Nd 0.73191 0.12357 0.46382 1.00000
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