Pm3Ho2ErSb6
Alexandria ALEXAlex-ID: agm044675813 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D6_529_spg12
Ho3ErSb4 HoEr3Sb4 PmSb
2024-08-25 00:04:28.106219
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044675813).
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}
}
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# CIF generated by HEAS from Alexandria entry agm044675813
data_agm044675813
_cell_length_a 7.67545
_cell_length_b 7.67545
_cell_length_c 7.65850
_cell_angle_alpha 80.39267
_cell_angle_beta 80.39267
_cell_angle_gamma 119.99547
_cell_volume 368.34525
_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 0.83315 0.16685 0.00000 1.00000
Pm2 Pm 0.16685 0.83315 0.00000 1.00000
Pm3 Pm 0.50000 0.50000 0.00000 1.00000
Ho1 Ho 0.66666 0.33334 0.50000 1.00000
Ho2 Ho 0.33334 0.66666 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.50000 1.00000
Sb1 Sb 0.58673 0.91954 0.74141 1.00000
Sb2 Sb 0.74767 0.74767 0.25859 1.00000
Sb3 Sb 0.41327 0.08046 0.25859 1.00000
Sb4 Sb 0.91954 0.58673 0.74141 1.00000
Sb5 Sb 0.25233 0.25233 0.74141 1.00000
Sb6 Sb 0.08046 0.41327 0.25859 1.00000
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