Pm2NpBe2Pt7
Alexandria ALEXAlex-ID: agm035955141 · 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
AB2C2D7_92_spg12
Pm3Be2Pt7 PmBe2Pt3 NpPt2
2024-11-14 04:21:14.393033
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035955141).
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 agm035955141
data_agm035955141
_cell_length_a 4.05208
_cell_length_b 4.05208
_cell_length_c 13.42138
_cell_angle_alpha 84.13891
_cell_angle_beta 84.13891
_cell_angle_gamma 89.55057
_cell_volume 218.07120
_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 0.10951 0.10951 0.14926 1.00000
Pm2 Pm 0.89049 0.89049 0.85074 1.00000
Np1 Np 0.00000 0.00000 0.50000 1.00000
Be1 Be 0.41262 0.41262 0.75361 1.00000
Be2 Be 0.58738 0.58738 0.24639 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
Pt2 Pt 0.63682 0.63682 0.07462 1.00000
Pt3 Pt 0.36318 0.36318 0.92538 1.00000
Pt4 Pt 0.55611 0.05734 0.33292 1.00000
Pt5 Pt 0.05734 0.55611 0.33292 1.00000
Pt6 Pt 0.94266 0.44389 0.66708 1.00000
Pt7 Pt 0.44389 0.94266 0.66708 1.00000
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