Tb2Np5Sc2
Alexandria ALEXAlex-ID: agm010001331 · 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
A2B2C5_657_spg2
Tb Np Sc
2024-04-19 15:41:58.586195
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010001331).
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 agm010001331
data_agm010001331
_cell_length_a 5.59577
_cell_length_b 5.96908
_cell_length_c 6.00265
_cell_angle_alpha 83.82265
_cell_angle_beta 94.84519
_cell_angle_gamma 91.28253
_cell_volume 198.60380
_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
Tb1 Tb 0.01378 0.50281 0.74890 1.00000
Tb2 Tb 0.98622 0.49719 0.25110 1.00000
Np1 Np 0.52058 0.71495 0.45558 1.00000
Np2 Np 0.47942 0.28505 0.54442 1.00000
Np3 Np 0.81254 0.01451 0.58510 1.00000
Np4 Np 0.18746 0.98549 0.41490 1.00000
Np5 Np 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.48667 0.76060 0.93984 1.00000
Sc2 Sc 0.51333 0.23940 0.06016 1.00000
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