LaPr8Ho5
Alexandria ALEXAlex-ID: agm006111310 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C8_130_spg5
Pr2Ho7 Pr LaHo2
2023-08-11 08:34:32.889085
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111310).
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 agm006111310
data_agm006111310
_cell_length_a 8.66588
_cell_length_b 8.72333
_cell_length_c 8.74740
_cell_angle_alpha 117.30306
_cell_angle_beta 99.09204
_cell_angle_gamma 112.91027
_cell_volume 493.35972
_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
La1 La 0.46505 0.62183 0.97215 1.00000
Pr1 Pr 0.09494 0.62117 0.89222 1.00000
Pr2 Pr 0.89751 0.10373 0.62365 1.00000
Pr3 Pr 0.76013 0.24251 0.30409 1.00000
Pr4 Pr 0.67462 0.35469 0.92132 1.00000
Pr5 Pr 0.55677 0.61684 0.34034 1.00000
Pr6 Pr 0.53155 0.89035 0.77582 1.00000
Pr7 Pr 0.26009 0.35451 0.48799 1.00000
Pr8 Pr 0.06310 0.74988 0.51175 1.00000
Ho1 Ho 0.07933 0.37194 0.11341 1.00000
Ho2 Ho 0.93544 0.88476 0.18009 1.00000
Ho3 Ho 0.73285 0.60525 0.69773 1.00000
Ho4 Ho 0.40396 0.98238 0.39245 1.00000
Ho5 Ho 0.29465 0.10017 0.03697 1.00000
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