Pm2YP3
Alexandria ALEXAlex-ID: agm033608498 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
YP PmP
2025-03-12 22:51:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033608498).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm033608498
data_agm033608498
_cell_length_a 13.56681
_cell_length_b 12.93986
_cell_length_c 7.08557
_cell_angle_alpha 79.44596
_cell_angle_beta 69.66102
_cell_angle_gamma 30.89303
_cell_volume 581.47395
_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 0.99963 0.99963 0.50037 1.00000
Pm2 Pm 0.41696 0.41696 0.58304 1.00000
Pm3 Pm 0.83304 0.83304 0.66696 1.00000
Pm4 Pm 0.25037 0.25037 0.74963 1.00000
Pm5 Pm 0.74963 0.74963 0.25037 1.00000
Pm6 Pm 0.66696 0.66696 0.83304 1.00000
Pm7 Pm 0.58304 0.58304 0.41696 1.00000
Pm8 Pm 0.50037 0.50037 0.99963 1.00000
Y1 Y 0.91657 0.91657 0.08343 1.00000
Y2 Y 0.33343 0.33343 0.16657 1.00000
Y3 Y 0.16657 0.16657 0.33343 1.00000
Y4 Y 0.08343 0.08343 0.91657 1.00000
P1 P 0.66561 0.16589 0.83906 1.00000
P2 P 0.16589 0.66561 0.32944 1.00000
P3 P 0.58439 0.08411 0.41094 1.00000
P4 P 0.08411 0.58439 0.92056 1.00000
P5 P 0.49497 0.00503 0.00503 1.00000
P6 P 0.00503 0.49497 0.49497 1.00000
P7 P 0.92056 0.41094 0.08411 1.00000
P8 P 0.41094 0.92056 0.58439 1.00000
P9 P 0.32944 0.83906 0.16589 1.00000
P10 P 0.83906 0.32944 0.66561 1.00000
P11 P 0.75503 0.24497 0.24497 1.00000
P12 P 0.24497 0.75503 0.75503 1.00000
