Pm3Pr2NdAs6
Alexandria ALEXAlex-ID: agm048607657 · 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
AB2C3D6_594_spg8
PmPr3As4 Pr3NdAs4 Pm3NdAs4
2025-01-14 07:19:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048607657).
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 agm048607657
data_agm048607657
_cell_length_a 7.39095
_cell_length_b 7.39095
_cell_length_c 7.39243
_cell_angle_alpha 80.41596
_cell_angle_beta 99.58404
_cell_angle_gamma 60.01225
_cell_volume 329.80849
_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 0.16689 0.16689 0.50000 1.00000
Pm2 Pm 0.83311 0.83311 0.50000 1.00000
Pm3 Pm 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.33341 0.33341 0.00000 1.00000
Pr2 Pr 0.66659 0.66659 0.00000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
As1 As 0.41668 0.91555 0.25339 1.00000
As2 As 0.24770 0.75230 0.74647 1.00000
As3 As 0.58332 0.08445 0.74661 1.00000
As4 As 0.08445 0.58332 0.25339 1.00000
As5 As 0.75230 0.24770 0.25353 1.00000
As6 As 0.91555 0.41668 0.74661 1.00000
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