Ca8PmAu4
Alexandria ALEXAlex-ID: agm097426258 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_837_spg8
Ca7Au3 Pm2Au PmAu
2025-06-02 15:47:36
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097426258).
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 agm097426258
data_agm097426258
_cell_length_a 3.95639
_cell_length_b 10.55032
_cell_length_c 11.19174
_cell_angle_alpha 68.19728
_cell_angle_beta 100.05498
_cell_angle_gamma 89.99153
_cell_volume 425.99770
_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
Ca1 Ca 0.18920 0.33781 0.06922 1.00000
Ca2 Ca 0.25012 0.72281 0.19238 1.00000
Ca3 Ca 0.42984 0.67892 0.55245 1.00000
Ca4 Ca 0.48811 0.03176 0.66771 1.00000
Ca5 Ca 0.83435 0.01326 0.35847 1.00000
Ca6 Ca 0.35183 0.35454 0.39615 1.00000
Ca7 Ca 0.01113 0.33953 0.71626 1.00000
Ca8 Ca 0.60066 0.68264 0.89405 1.00000
Pm1 Pm 0.65161 0.05655 0.99762 1.00000
Au1 Au 0.10238 0.91176 0.89767 1.00000
Au2 Au 0.74209 0.49101 0.17524 1.00000
Au3 Au 0.86547 0.55690 0.42347 1.00000
Au4 Au 0.98321 0.82252 0.65930 1.00000
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