Pm4Sb2I3
Alexandria ALEXAlex-ID: agm005694340 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_352_spg164
Pm2SbI2 Pm5Sb3 Pm
2023-06-28 03:15:42.517782
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694340).
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 agm005694340
data_agm005694340
_cell_length_a 4.47704
_cell_length_b 4.47704
_cell_length_c 18.92878
_cell_angle_alpha 90.03793
_cell_angle_beta 89.96207
_cell_angle_gamma 120.00063
_cell_volume 328.57330
_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 0.33357 0.66643 0.88539 1.00000
Pm2 Pm 0.99940 0.00060 0.29136 1.00000
Pm3 Pm 0.00060 0.99940 0.70864 1.00000
Pm4 Pm 0.66643 0.33357 0.11461 1.00000
Sb1 Sb 0.66708 0.33292 0.79897 1.00000
Sb2 Sb 0.33292 0.66708 0.20103 1.00000
I1 I 0.66587 0.33413 0.39588 1.00000
I2 I 0.00000 0.00000 0.00000 1.00000
I3 I 0.33413 0.66587 0.60412 1.00000
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