NdThCoI
Alexandria ALEXAlex-ID: agm005201554 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_347_spg1
Th7Co3 Nd12Co2I17 ThCo Nd
2022-07-10 10:59:25.147527
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005201554).
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 agm005201554
data_agm005201554
_cell_length_a 4.06142
_cell_length_b 4.09494
_cell_length_c 8.50055
_cell_angle_alpha 90.05437
_cell_angle_beta 103.90903
_cell_angle_gamma 120.13260
_cell_volume 117.43317
_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
Nd1 Nd 0.51629 0.15653 0.68526 1.00000
Th1 Th 0.07894 0.93676 0.03674 1.00000
Co1 Co 0.31331 0.55464 0.88239 1.00000
I1 I 0.96936 0.38287 0.36527 1.00000
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