Pm3(SmTm2)2
Alexandria ALEXAlex-ID: agm034887533 · 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_9_spg12
Pm2Sm3Tm PmTm2
2025-04-01 15:05:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034887533).
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 agm034887533
data_agm034887533
_cell_length_a 9.51433
_cell_length_b 9.51433
_cell_length_c 9.57644
_cell_angle_alpha 64.75743
_cell_angle_beta 115.24257
_cell_angle_gamma 158.17045
_cell_volume 290.35891
_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 0.85276 0.14724 0.33618 1.00000
Pm2 Pm 0.14724 0.85276 0.66382 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Sm1 Sm 0.33373 0.66627 0.99674 1.00000
Sm2 Sm 0.66627 0.33373 0.00326 1.00000
Tm1 Tm 0.81465 0.18535 0.66295 1.00000
Tm2 Tm 0.18535 0.81465 0.33705 1.00000
Tm3 Tm 0.51982 0.48018 0.33377 1.00000
Tm4 Tm 0.48018 0.51982 0.66623 1.00000
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