La(YHo)3
Alexandria ALEXAlex-ID: agm005874151 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_323_spg148
LaY2 YHo8 Y5Ho
2023-08-06 21:07:09.377684
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005874151).
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 agm005874151
data_agm005874151
_cell_length_a 8.84678
_cell_length_b 8.84678
_cell_length_c 8.84678
_cell_angle_alpha 58.79642
_cell_angle_beta 58.79642
_cell_angle_gamma 58.79641
_cell_volume 476.14209
_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 0.35143 0.35143 0.35143 1.00000
La2 La 0.64857 0.64857 0.64857 1.00000
Y1 Y 0.73000 0.57035 0.06258 1.00000
Y2 Y 0.06258 0.73000 0.57035 1.00000
Y3 Y 0.57035 0.06258 0.73000 1.00000
Y4 Y 0.42965 0.93742 0.27000 1.00000
Y5 Y 0.93742 0.27000 0.42965 1.00000
Y6 Y 0.27000 0.42965 0.93742 1.00000
Ho1 Ho 0.71587 0.17210 0.93481 1.00000
Ho2 Ho 0.17210 0.93481 0.71587 1.00000
Ho3 Ho 0.93481 0.71587 0.17210 1.00000
Ho4 Ho 0.06519 0.28413 0.82790 1.00000
Ho5 Ho 0.82790 0.06519 0.28413 1.00000
Ho6 Ho 0.28413 0.82790 0.06519 1.00000
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