Sm4Tm5Th2
Alexandria ALEXAlex-ID: agm005649247 · 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_493_spg12
Tm2Th Sm SmTm2
2023-06-22 15:04:42.100464
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649247).
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 agm005649247
data_agm005649247
_cell_length_a 3.53209
_cell_length_b 8.76685
_cell_length_c 14.50567
_cell_angle_alpha 89.16828
_cell_angle_beta 128.47797
_cell_angle_gamma 91.34672
_cell_volume 351.53673
_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
Sm1 Sm 0.07483 0.19785 0.53193 1.00000
Sm2 Sm 0.20822 0.73055 0.16988 1.00000
Sm3 Sm 0.92517 0.80215 0.46807 1.00000
Sm4 Sm 0.79178 0.26945 0.83012 1.00000
Tm1 Tm 0.85473 0.53028 0.65054 1.00000
Tm2 Tm 0.14527 0.46972 0.34946 1.00000
Tm3 Tm 0.09530 0.91785 0.72573 1.00000
Tm4 Tm 0.50000 0.00000 0.00000 1.00000
Tm5 Tm 0.90470 0.08215 0.27427 1.00000
Th1 Th 0.00711 0.63887 0.90612 1.00000
Th2 Th 0.99289 0.36113 0.09388 1.00000
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