Ac4Tb3Sm2
Alexandria ALEXAlex-ID: agm005641643 · 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
A2B3C4_298_spg12
Tb2Sm Ac Sm
2023-06-30 21:49:21.039957
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641643).
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 agm005641643
data_agm005641643
_cell_length_a 5.39483
_cell_length_b 6.44202
_cell_length_c 11.28100
_cell_angle_alpha 74.77204
_cell_angle_beta 90.03931
_cell_angle_gamma 65.30084
_cell_volume 340.94288
_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
Ac1 Ac 0.66617 0.66746 0.88860 1.00000
Ac2 Ac 0.00538 0.98965 0.33359 1.00000
Ac3 Ac 0.99462 0.01035 0.66641 1.00000
Ac4 Ac 0.33383 0.33254 0.11140 1.00000
Tb1 Tb 0.33508 0.32979 0.44944 1.00000
Tb2 Tb 0.00000 0.00000 0.00000 1.00000
Tb3 Tb 0.66492 0.67021 0.55056 1.00000
Sm1 Sm 0.32828 0.34320 0.77186 1.00000
Sm2 Sm 0.67172 0.65680 0.22814 1.00000
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