Eu4As7Ir8
Alexandria ALEXAlex-ID: agm005239647 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7C8_4_spg11
Eu4As7Ir8
2024-11-11 17:38:43
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239647).
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 agm005239647
data_agm005239647
_cell_length_a 4.13730
_cell_length_b 13.18850
_cell_length_c 13.70390
_cell_angle_alpha 98.44883
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 739.63618
_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
Eu1 Eu 0.75000 0.21324 0.56580 1.00000
Eu2 Eu 0.25000 0.78676 0.43420 1.00000
Eu3 Eu 0.75000 0.51354 0.70899 1.00000
Eu4 Eu 0.25000 0.48646 0.29101 1.00000
Eu5 Eu 0.75000 0.28579 0.89578 1.00000
Eu6 Eu 0.25000 0.71421 0.10422 1.00000
Eu7 Eu 0.75000 0.10211 0.20562 1.00000
Eu8 Eu 0.25000 0.89789 0.79438 1.00000
As1 As 0.75000 0.74397 0.91927 1.00000
As2 As 0.25000 0.25603 0.08073 1.00000
As3 As 0.75000 0.90480 0.58589 1.00000
As4 As 0.25000 0.09520 0.41411 1.00000
As5 As 0.75000 0.53054 0.12743 1.00000
As6 As 0.25000 0.46946 0.87257 1.00000
As7 As 0.75000 0.84785 0.27882 1.00000
As8 As 0.25000 0.15215 0.72118 1.00000
As9 As 0.75000 0.60889 0.43707 1.00000
As10 As 0.25000 0.39111 0.56293 1.00000
As11 As 0.75000 0.31085 0.31002 1.00000
As12 As 0.25000 0.68915 0.68998 1.00000
As13 As 0.75000 0.05845 0.89910 1.00000
As14 As 0.25000 0.94155 0.10090 1.00000
Ir1 Ir 0.75000 0.34296 0.13754 1.00000
Ir2 Ir 0.25000 0.65704 0.86246 1.00000
Ir3 Ir 0.75000 0.72160 0.60178 1.00000
Ir4 Ir 0.25000 0.27840 0.39822 1.00000
Ir5 Ir 0.75000 0.92043 0.00199 1.00000
Ir6 Ir 0.25000 0.07957 0.99801 1.00000
Ir7 Ir 0.75000 0.42530 0.47106 1.00000
Ir8 Ir 0.25000 0.57470 0.52894 1.00000
Ir9 Ir 0.75000 0.05563 0.71994 1.00000
Ir10 Ir 0.25000 0.94437 0.28006 1.00000
Ir11 Ir 0.75000 0.55376 0.95155 1.00000
Ir12 Ir 0.25000 0.44624 0.04845 1.00000
Ir13 Ir 0.75000 0.66418 0.27174 1.00000
Ir14 Ir 0.25000 0.33582 0.72826 1.00000
Ir15 Ir 0.75000 0.98571 0.42656 1.00000
Ir16 Ir 0.25000 0.01429 0.57344 1.00000
