NpZn2CoH8
Alexandria ALEXAlex-ID: agm004912937 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_310_spg2
Zn53Co7 ZnH2 NpCoH6 NpH3
2023-01-01 22:27:39.475063
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004912937).
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 agm004912937
data_agm004912937
_cell_length_a 4.20306
_cell_length_b 4.41467
_cell_length_c 6.13354
_cell_angle_alpha 60.77663
_cell_angle_beta 87.43610
_cell_angle_gamma 92.87180
_cell_volume 98.88555
_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 0.00000 0.00000 0.50000 1.00000
Zn1 Zn 0.51048 0.35315 0.81320 1.00000
Zn2 Zn 0.48952 0.64685 0.18680 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
H1 H 0.07496 0.66157 0.28175 1.00000
H2 H 0.80472 0.73837 0.92860 1.00000
H3 H 0.72789 0.05003 0.16467 1.00000
H4 H 0.92504 0.33843 0.71825 1.00000
H5 H 0.19528 0.26163 0.07140 1.00000
H6 H 0.27211 0.94997 0.83533 1.00000
H7 H 0.48479 0.75311 0.56430 1.00000
H8 H 0.51521 0.24689 0.43570 1.00000
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