Nd2B4Pt5
Alexandria ALEXAlex-ID: agm002256995 · 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
A2B4C5_0_spg12
NdBPt3 NdB6 Nd(BPt3)2
2019-01-10 06:46:27
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002256995).
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 agm002256995
data_agm002256995
_cell_length_a 5.48236
_cell_length_b 5.83487
_cell_length_c 6.61650
_cell_angle_alpha 72.88118
_cell_angle_beta 65.68305
_cell_angle_gamma 62.02572
_cell_volume 168.98844
_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
B1 B 0.39722 0.06541 0.14327 1.00000
B2 B 0.60278 0.93459 0.85673 1.00000
B3 B 0.77375 0.61499 0.83486 1.00000
B4 B 0.22625 0.38501 0.16514 1.00000
Nd1 Nd 0.27430 0.79987 0.65157 1.00000
Nd2 Nd 0.72570 0.20013 0.34843 1.00000
Pt1 Pt 0.17947 0.27299 0.86741 1.00000
Pt2 Pt 0.82053 0.72701 0.13259 1.00000
Pt3 Pt 0.00000 0.50000 0.50000 1.00000
Pt4 Pt 0.67991 0.27285 0.86558 1.00000
Pt5 Pt 0.32009 0.72715 0.13442 1.00000
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