La2NpBe2Pt7
Alexandria ALEXAlex-ID: agm034758012 · 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_201_spg12
LaBe2Pt3 La15Pt32 NpPt NpPt2
2024-11-01 14:28:31.179680
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034758012).
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
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# CIF generated by HEAS from Alexandria entry agm034758012
data_agm034758012
_cell_length_a 4.09539
_cell_length_b 4.09539
_cell_length_c 13.49211
_cell_angle_alpha 84.41000
_cell_angle_beta 84.41000
_cell_angle_gamma 89.57567
_cell_volume 224.14446
_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 0.10271 0.10271 0.14958 1.00000
La2 La 0.89729 0.89729 0.85042 1.00000
Np1 Np 0.00000 0.00000 0.50000 1.00000
Be1 Be 0.42123 0.42123 0.74750 1.00000
Be2 Be 0.57877 0.57877 0.25250 1.00000
Pt1 Pt 0.50000 0.50000 0.50000 1.00000
Pt2 Pt 0.62484 0.62484 0.07945 1.00000
Pt3 Pt 0.37516 0.37516 0.92055 1.00000
Pt4 Pt 0.55089 0.05162 0.33586 1.00000
Pt5 Pt 0.05162 0.55089 0.33586 1.00000
Pt6 Pt 0.94838 0.44911 0.66414 1.00000
Pt7 Pt 0.44911 0.94838 0.66414 1.00000
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