Rb3Pr2HoO6
Alexandria ALEXAlex-ID: agm032188672 · 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
AB2C3D6_28_spg12
RbHoO2 RbPrO2
2024-11-13 03:22:28.087651
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032188672).
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 agm032188672
data_agm032188672
_cell_length_a 8.63374
_cell_length_b 8.63374
_cell_length_c 7.82773
_cell_angle_alpha 71.35632
_cell_angle_beta 71.35632
_cell_angle_gamma 24.29608
_cell_volume 226.87972
_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
Rb1 Rb 0.50000 0.50000 0.00000 1.00000
Rb2 Rb 0.83528 0.83528 0.33594 1.00000
Rb3 Rb 0.16472 0.16472 0.66406 1.00000
Pr1 Pr 0.83538 0.83538 0.82938 1.00000
Pr2 Pr 0.16462 0.16462 0.17062 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
O1 O 0.35512 0.35512 0.61260 1.00000
O2 O 0.68078 0.68078 0.95339 1.00000
O3 O 0.64488 0.64488 0.38740 1.00000
O4 O 0.01200 0.01200 0.30039 1.00000
O5 O 0.98800 0.98800 0.69961 1.00000
O6 O 0.31922 0.31922 0.04661 1.00000
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