Sr3Pm7Co2
Alexandria ALEXAlex-ID: agm101669348 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_69_spg12
Pm3Co Sr Pm
2025-05-15 21:58:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101669348).
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 agm101669348
data_agm101669348
_cell_length_a 7.23385
_cell_length_b 7.23385
_cell_length_c 10.41337
_cell_angle_alpha 69.66645
_cell_angle_beta 110.33355
_cell_angle_gamma 119.99564
_cell_volume 432.27598
_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
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sr2 Sr 0.85586 0.14414 0.56731 1.00000
Sr3 Sr 0.14414 0.85586 0.43269 1.00000
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.44021 0.06504 0.81489 1.00000
Pm3 Pm 0.93496 0.55979 0.81489 1.00000
Pm4 Pm 0.44019 0.55981 0.81486 1.00000
Pm5 Pm 0.55979 0.93496 0.18511 1.00000
Pm6 Pm 0.55981 0.44019 0.18514 1.00000
Pm7 Pm 0.06504 0.44021 0.18511 1.00000
Co1 Co 0.66782 0.33218 0.00333 1.00000
Co2 Co 0.33218 0.66782 0.99667 1.00000
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