Pm(Ho3Tl2)2
Alexandria ALEXAlex-ID: agm003662463 · 空间群: I-42m (#121)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C6_23_spg121
Ho9Tl4 Pm2Ho3Tl4
2022-04-08 12:38:27.915483
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662463).
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 agm003662463
data_agm003662463
_cell_length_a 8.01795
_cell_length_b 8.01795
_cell_length_c 8.01795
_cell_angle_alpha 86.79764
_cell_angle_beta 121.86579
_cell_angle_gamma 121.86579
_cell_volume 353.60130
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Ho1 Ho 1.00000 0.89473 0.52626 1.00000
Ho2 Ho 1.00000 0.52626 0.89473 1.00000
Ho3 Ho 0.63153 0.10527 0.10527 1.00000
Ho4 Ho 0.50000 0.00000 0.50000 1.00000
Ho5 Ho 0.36847 0.47374 0.47374 1.00000
Ho6 Ho 0.50000 0.50000 0.00000 1.00000
Tl1 Tl 1.00000 0.25217 0.60452 1.00000
Tl2 Tl 0.64766 0.39548 0.39548 1.00000
Tl3 Tl 1.00000 0.60452 0.25217 1.00000
Tl4 Tl 0.35234 0.74783 0.74783 1.00000
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