HoMn(H4Pd)2
Alexandria ALEXAlex-ID: agm007306801 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_1_spg5
Ho(HPd)4 H4Pd MnH2 HoMnH5
2025-05-27 08:04:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007306801).
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 agm007306801
data_agm007306801
_cell_length_a 4.18943
_cell_length_b 4.56960
_cell_length_c 6.12894
_cell_angle_alpha 83.46042
_cell_angle_beta 84.80448
_cell_angle_gamma 64.75143
_cell_volume 105.31790
_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
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
H1 H 0.93219 0.75729 0.21981 1.00000
H2 H 0.75720 0.38729 0.10569 1.00000
H3 H 0.29846 0.00928 0.16925 1.00000
H4 H 0.06781 0.24271 0.78019 1.00000
H5 H 0.24280 0.61271 0.89431 1.00000
H6 H 0.70154 0.99072 0.83075 1.00000
H7 H 0.62535 0.70834 0.53802 1.00000
H8 H 0.37465 0.29166 0.46198 1.00000
Pd1 Pd 0.66674 0.60901 0.81140 1.00000
Pd2 Pd 0.33326 0.39099 0.18860 1.00000
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