LaPm7Ga4
Alexandria ALEXAlex-ID: agm003667052 · 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
AB4C7_87_spg12
Pm5Ga3 La2Ga Pm
2022-04-08 23:07:24.576513
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003667052).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003667052
data_agm003667052
_cell_length_a 5.64334
_cell_length_b 9.23911
_cell_length_c 7.48914
_cell_angle_alpha 77.23225
_cell_angle_beta 67.86636
_cell_angle_gamma 72.21747
_cell_volume 341.93047
_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 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.79414 0.87927 0.53245 1.00000
Pm2 Pm 0.20586 0.12073 0.46755 1.00000
Pm3 Pm 0.06521 0.61113 0.25844 1.00000
Pm4 Pm 0.93479 0.38887 0.74156 1.00000
Pm5 Pm 0.29705 0.64172 0.76418 1.00000
Pm6 Pm 0.50000 0.00000 0.00000 1.00000
Pm7 Pm 0.70295 0.35828 0.23582 1.00000
Ga1 Ga 0.55244 0.24317 0.65195 1.00000
Ga2 Ga 0.44756 0.75683 0.34805 1.00000
Ga3 Ga 0.68008 0.66996 0.96989 1.00000
Ga4 Ga 0.31992 0.33004 0.03011 1.00000
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