Np3Te2P
Alexandria ALEXAlex-ID: agm017447023 · 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
AB2C3_144_spg12
Np3Te4 Np2P NpP
2025-04-14 06:11:47
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017447023).
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 agm017447023
data_agm017447023
_cell_length_a 7.38785
_cell_length_b 7.38785
_cell_length_c 7.37501
_cell_angle_alpha 80.33726
_cell_angle_beta 99.66274
_cell_angle_gamma 59.80821
_cell_volume 327.61508
_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
Np1 Np 0.07589 0.56735 0.72523 1.00000
Np2 Np 0.28898 0.71102 0.28747 1.00000
Np3 Np 0.92411 0.43265 0.27477 1.00000
Np4 Np 0.56735 0.07589 0.27477 1.00000
Np5 Np 0.43265 0.92411 0.72523 1.00000
Np6 Np 0.71102 0.28898 0.71253 1.00000
Te1 Te 0.00000 0.00000 0.50000 1.00000
Te2 Te 0.50000 0.50000 0.00000 1.00000
Te3 Te 0.84418 0.84418 0.00000 1.00000
Te4 Te 0.15582 0.15582 0.00000 1.00000
P1 P 0.33020 0.33020 0.50000 1.00000
P2 P 0.66980 0.66980 0.50000 1.00000
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