Nd2Al2Co15
Alexandria ALEXAlex-ID: agm008902165 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C15_58_spg8
Nd2Co17 AlCo NdCo
2024-05-10 22:27:57.372818
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008902165).
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}
}
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# CIF generated by HEAS from Alexandria entry agm008902165
data_agm008902165
_cell_length_a 6.37786
_cell_length_b 6.37786
_cell_length_c 6.34681
_cell_angle_alpha 82.99925
_cell_angle_beta 82.99925
_cell_angle_gamma 83.34854
_cell_volume 252.99502
_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 0.65761 0.65761 0.67053 1.00000
Nd2 Nd 0.34599 0.34599 0.34313 1.00000
Al1 Al 0.34275 0.85114 0.34310 1.00000
Al2 Al 0.85114 0.34275 0.34310 1.00000
Co1 Co 0.90590 0.90590 0.90511 1.00000
Co2 Co 0.09942 0.09942 0.08563 1.00000
Co3 Co 0.00108 0.28253 0.71916 1.00000
Co4 Co 0.28285 0.71284 0.99448 1.00000
Co5 Co 0.71779 0.99919 0.28040 1.00000
Co6 Co 0.71284 0.28285 0.99448 1.00000
Co7 Co 0.28253 0.00108 0.71916 1.00000
Co8 Co 0.99919 0.71779 0.28040 1.00000
Co9 Co 0.50412 0.99760 0.99490 1.00000
Co10 Co 0.99627 0.99627 0.50429 1.00000
Co11 Co 0.99760 0.50412 0.99490 1.00000
Co12 Co 0.34104 0.34104 0.85367 1.00000
Co13 Co 0.65673 0.14354 0.66155 1.00000
Co14 Co 0.14354 0.65673 0.66155 1.00000
Co15 Co 0.66162 0.66162 0.15046 1.00000
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