Rb3Y2TmO6
Alexandria ALEXAlex-ID: agm033270147 · 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_251_spg12
RbTmO2 RbYO2
2024-11-08 13:02:06.706061
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033270147).
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 agm033270147
data_agm033270147
_cell_length_a 8.45833
_cell_length_b 8.45833
_cell_length_c 7.70190
_cell_angle_alpha 69.67342
_cell_angle_beta 69.67342
_cell_angle_gamma 23.85016
_cell_volume 208.28815
_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 0.50000 1.00000
Rb2 Rb 0.83373 0.83373 0.83435 1.00000
Rb3 Rb 0.16627 0.16627 0.16565 1.00000
Y1 Y 0.83403 0.83403 0.33216 1.00000
Y2 Y 0.16597 0.16597 0.66784 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
O1 O 0.35207 0.35207 0.12191 1.00000
O2 O 0.68281 0.68281 0.45735 1.00000
O3 O 0.64793 0.64793 0.87809 1.00000
O4 O 0.01524 0.01524 0.79595 1.00000
O5 O 0.98476 0.98476 0.20405 1.00000
O6 O 0.31719 0.31719 0.54265 1.00000
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