Ho3(NiPd)2
Alexandria ALEXAlex-ID: agm011832014 · 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
A2B2C3_21_spg12
HoNi2 HoPd
2025-06-26 02:14:25
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011832014).
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 agm011832014
data_agm011832014
_cell_length_a 5.55293
_cell_length_b 5.55293
_cell_length_c 7.53453
_cell_angle_alpha 70.55656
_cell_angle_beta 109.44344
_cell_angle_gamma 139.67387
_cell_volume 140.57744
_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
Ho1 Ho 0.00000 0.00000 0.50000 1.00000
Ho2 Ho 0.82111 0.17889 0.84563 1.00000
Ho3 Ho 0.17889 0.82111 0.15437 1.00000
Ni1 Ni 0.68960 0.31040 0.43812 1.00000
Ni2 Ni 0.31040 0.68960 0.56188 1.00000
Pd1 Pd 0.45489 0.54511 0.16151 1.00000
Pd2 Pd 0.54511 0.45489 0.83849 1.00000
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