Ce2Ho5Tm4
Alexandria ALEXAlex-ID: agm005676879 · 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
A2B4C5_724_spg2
HoTm2 Ho7Tm2 Ce
2023-06-21 15:34:04.869498
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676879).
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 agm005676879
data_agm005676879
_cell_length_a 3.46754
_cell_length_b 11.14587
_cell_length_c 8.68896
_cell_angle_alpha 91.58334
_cell_angle_beta 90.82105
_cell_angle_gamma 88.94227
_cell_volume 335.59985
_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
Ce1 Ce 0.75475 0.36526 0.45524 1.00000
Ce2 Ce 0.24525 0.63474 0.54476 1.00000
Ho1 Ho 0.74510 0.47725 0.82122 1.00000
Ho2 Ho 0.25490 0.52275 0.17878 1.00000
Ho3 Ho 0.77531 0.91588 0.64178 1.00000
Ho4 Ho 0.50000 0.00000 0.00000 1.00000
Ho5 Ho 0.22469 0.08412 0.35822 1.00000
Tm1 Tm 0.25958 0.20463 0.73159 1.00000
Tm2 Tm 0.20826 0.73758 0.91828 1.00000
Tm3 Tm 0.74042 0.79537 0.26841 1.00000
Tm4 Tm 0.79174 0.26242 0.08172 1.00000
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