Pm6ZnGa2
Alexandria ALEXAlex-ID: agm005702189 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1783_spg71
Pm2Zn Pm5Ga3 Pm
2023-07-10 17:32:58.213351
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702189).
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 agm005702189
data_agm005702189
_cell_length_a 8.77732
_cell_length_b 8.77733
_cell_length_c 8.77732
_cell_angle_alpha 106.40650
_cell_angle_beta 111.17113
_cell_angle_gamma 110.87896
_cell_volume 519.43961
_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 0.55831 0.73282 0.82550 1.00000
Pm2 Pm 0.44169 0.26718 0.17450 1.00000
Pm3 Pm 0.09268 0.26718 0.82550 1.00000
Pm4 Pm 0.90732 0.73282 0.17450 1.00000
Pm5 Pm 0.80361 0.75048 0.55409 1.00000
Pm6 Pm 0.19639 0.24952 0.44591 1.00000
Pm7 Pm 0.19639 0.75048 0.94687 1.00000
Pm8 Pm 0.80361 0.24952 0.05313 1.00000
Pm9 Pm 0.70878 0.38242 0.67365 1.00000
Pm10 Pm 0.29122 0.61758 0.32635 1.00000
Pm11 Pm 0.29122 0.96487 0.67365 1.00000
Pm12 Pm 0.70878 0.03513 0.32635 1.00000
Zn1 Zn 0.00000 0.50000 0.50000 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.50000 0.37794 0.87794 1.00000
Ga2 Ga 0.50000 0.62206 0.12206 1.00000
Ga3 Ga 0.64614 1.00000 0.64614 1.00000
Ga4 Ga 0.35386 0.00000 0.35386 1.00000
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