Pm4Te2SeN2
Alexandria ALEXAlex-ID: agm004559331 · 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
AB2C2D4_134_spg12
Pm4Te3N2 Pm4Se3N2
2022-06-19 17:53:16.764069
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004559331).
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 agm004559331
data_agm004559331
_cell_length_a 4.11806
_cell_length_b 7.55610
_cell_length_c 8.23498
_cell_angle_alpha 107.72665
_cell_angle_beta 104.47957
_cell_angle_gamma 90.00000
_cell_volume 235.51807
_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 0.21101 0.15101 0.42201 1.00000
Pm2 Pm 0.78899 0.84899 0.57799 1.00000
Pm3 Pm 0.54701 0.76610 0.09403 1.00000
Pm4 Pm 0.45299 0.23390 0.90597 1.00000
Te1 Te 0.13206 0.53684 0.26413 1.00000
Te2 Te 0.86794 0.46316 0.73587 1.00000
Se1 Se 0.00000 0.00000 0.00000 1.00000
N1 N 0.67586 0.98385 0.35173 1.00000
N2 N 0.32414 0.01615 0.64827 1.00000
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