Ba3(Ho4U)2
Alexandria ALEXAlex-ID: agm010222872 · 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
A2B3C8_174_spg12
Ba Ho U
2024-06-24 11:48:57.976964
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010222872).
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 agm010222872
data_agm010222872
_cell_length_a 6.08011
_cell_length_b 8.56001
_cell_length_c 9.49340
_cell_angle_alpha 113.32336
_cell_angle_beta 89.25018
_cell_angle_gamma 99.62895
_cell_volume 446.55397
_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
Ba1 Ba 0.50000 0.00000 0.00000 1.00000
Ba2 Ba 0.17571 0.16173 0.77117 1.00000
Ba3 Ba 0.82429 0.83827 0.22883 1.00000
Ho1 Ho 0.88855 0.32454 0.54291 1.00000
Ho2 Ho 0.11145 0.67546 0.45709 1.00000
Ho3 Ho 0.05032 0.27478 0.18718 1.00000
Ho4 Ho 0.94968 0.72522 0.81282 1.00000
Ho5 Ho 0.27437 0.59863 0.07320 1.00000
Ho6 Ho 0.63580 0.89515 0.60095 1.00000
Ho7 Ho 0.36420 0.10485 0.39905 1.00000
Ho8 Ho 0.72563 0.40137 0.92680 1.00000
U1 U 0.55517 0.47680 0.36898 1.00000
U2 U 0.44483 0.52320 0.63102 1.00000
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