PmNd(ErSb2)2
Alexandria ALEXAlex-ID: agm042691981 · 空间群: Imma (#74)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_877_spg5
Pm3NdSb4 PmNd3Sb4 ErSb
2025-01-19 05:01:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm042691981).
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 agm042691981
data_agm042691981
_cell_length_a 8.86339
_cell_length_b 8.86339
_cell_length_c 8.86339
_cell_angle_alpha 120.00427
_cell_angle_beta 119.99497
_cell_angle_gamma 90.00066
_cell_volume 492.36536
_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 0.00000 0.00000 0.50000 1.00000
Pm2 Pm 0.00000 0.50000 0.00000 1.00000
Nd1 Nd 0.50000 0.50000 0.00000 1.00000
Nd2 Nd 0.00000 0.50000 0.50000 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.50000 0.00000 0.00000 1.00000
Er3 Er 0.00000 0.00000 0.00000 1.00000
Er4 Er 0.50000 0.00000 0.50000 1.00000
Sb1 Sb 0.73998 0.24622 0.49376 1.00000
Sb2 Sb 0.25246 0.24622 0.00624 1.00000
Sb3 Sb 0.74754 0.75378 0.99376 1.00000
Sb4 Sb 0.26002 0.75378 0.50624 1.00000
Sb5 Sb 0.25312 0.24559 0.49247 1.00000
Sb6 Sb 0.25312 0.76065 0.00753 1.00000
Sb7 Sb 0.74688 0.23935 0.99247 1.00000
Sb8 Sb 0.74688 0.75441 0.50753 1.00000
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