La2Tm5Mn2
Alexandria ALEXAlex-ID: agm009658564 · 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
A2B2C5_437_spg12
Tm2Mn17 LaTm2 Tm
2024-03-17 11:51:01.172441
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009658564).
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 agm009658564
data_agm009658564
_cell_length_a 8.53107
_cell_length_b 8.53107
_cell_length_c 9.39158
_cell_angle_alpha 64.39668
_cell_angle_beta 64.39668
_cell_angle_gamma 23.99320
_cell_volume 249.34104
_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
La1 La 0.43792 0.43792 0.35690 1.00000
La2 La 0.56208 0.56208 0.64310 1.00000
Tm1 Tm 0.34454 0.34454 0.93554 1.00000
Tm2 Tm 0.65546 0.65546 0.06446 1.00000
Tm3 Tm 0.24181 0.24181 0.69542 1.00000
Tm4 Tm 0.75819 0.75819 0.30458 1.00000
Tm5 Tm 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.09168 0.09168 0.35752 1.00000
Mn2 Mn 0.90832 0.90832 0.64248 1.00000
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