La3PmTh2N6
Alexandria ALEXAlex-ID: agm044609501 · 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_598_spg1
Pm3ThN4 La4PmTh3N8 La2ThN3
2024-11-10 12:47:52.905304
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044609501).
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 agm044609501
data_agm044609501
_cell_length_a 8.26301
_cell_length_b 8.26301
_cell_length_c 7.40480
_cell_angle_alpha 76.76403
_cell_angle_beta 76.76403
_cell_angle_gamma 25.84268
_cell_volume 214.21628
_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
La1 La 0.50000 0.50000 0.50000 1.00000
La2 La 0.83501 0.83501 0.83508 1.00000
La3 La 0.16499 0.16499 0.16492 1.00000
Pm1 Pm 0.50000 0.50000 0.00000 1.00000
Th1 Th 0.83467 0.83467 0.32968 1.00000
Th2 Th 0.16533 0.16533 0.67032 1.00000
N1 N 0.33517 0.33517 0.09638 1.00000
N2 N 0.67147 0.67147 0.43110 1.00000
N3 N 0.66483 0.66483 0.90362 1.00000
N4 N 0.00551 0.00551 0.75152 1.00000
N5 N 0.99449 0.99449 0.24848 1.00000
N6 N 0.32853 0.32853 0.56890 1.00000
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