Pm2S3
Alexandria ALEXAlex-ID: agm010164582 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_32_spg122
Pm2S3
2025-01-19 10:12:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010164582).
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 agm010164582
data_agm010164582
_cell_length_a 14.12002
_cell_length_b 14.12002
_cell_length_c 14.12002
_cell_angle_alpha 144.80601
_cell_angle_beta 144.80601
_cell_angle_gamma 50.62371
_cell_volume 930.39030
_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 0.17743 0.29786 0.39743 1.00000
Pm2 Pm 0.90043 0.78000 0.60257 1.00000
Pm3 Pm 0.58479 0.08479 0.50000 1.00000
Pm4 Pm 0.37500 0.74456 0.86956 1.00000
Pm5 Pm 0.84957 0.95214 0.37957 1.00000
Pm6 Pm 0.16521 0.16521 0.00000 1.00000
Pm7 Pm 0.57257 0.47000 0.62043 1.00000
Pm8 Pm 0.87500 0.50544 0.13044 1.00000
Pm9 Pm 0.04786 0.42743 0.89743 1.00000
Pm10 Pm 0.83479 0.83479 0.00000 1.00000
Pm11 Pm 0.49456 0.62500 0.36956 1.00000
Pm12 Pm 0.25544 0.12500 0.63044 1.00000
Pm13 Pm 0.53000 0.15043 0.10257 1.00000
Pm14 Pm 0.91521 0.41521 0.50000 1.00000
Pm15 Pm 0.70214 0.09957 0.87957 1.00000
Pm16 Pm 0.22000 0.82257 0.12043 1.00000
S1 S 0.88990 0.13714 0.89373 1.00000
S2 S 0.53228 0.42365 0.74557 1.00000
S3 S 0.24341 0.99618 0.10627 1.00000
S4 S 0.50659 0.11286 0.25276 1.00000
S5 S 0.86010 0.25382 0.74724 1.00000
S6 S 0.21772 0.46329 0.39137 1.00000
S7 S 0.67808 0.78671 0.25443 1.00000
S8 S 0.56342 0.81388 0.90993 1.00000
S9 S 0.07192 0.82635 0.60863 1.00000
S10 S 0.18612 0.09605 0.74954 1.00000
S11 S 0.90395 0.65348 0.09007 1.00000
S12 S 0.17365 0.78228 0.24557 1.00000
S13 S 0.53671 0.92808 0.75443 1.00000
S14 S 0.88714 0.13990 0.39373 1.00000
S15 S 0.34652 0.43658 0.25046 1.00000
S16 S 0.21329 0.46772 0.89137 1.00000
S17 S 0.74618 0.49341 0.60627 1.00000
S18 S 0.86286 0.75659 0.75276 1.00000
S19 S 0.57635 0.32192 0.10863 1.00000
S20 S 0.84605 0.43612 0.24954 1.00000
S21 S 0.18658 0.59652 0.75046 1.00000
S22 S 0.56388 0.81342 0.40993 1.00000
S23 S 0.00382 0.11010 0.24724 1.00000
S24 S 0.40348 0.15395 0.59007 1.00000
