HoErP2
Alexandria ALEXAlex-ID: agm081348751 · 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
ABC2_12863_spg12
Ho3ErP4 HoEr3P4
2025-02-25 21:57:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm081348751).
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 agm081348751
data_agm081348751
_cell_length_a 8.89360
_cell_length_b 8.89360
_cell_length_c 12.58689
_cell_angle_alpha 64.84349
_cell_angle_beta 115.15651
_cell_angle_gamma 143.16115
_cell_volume 533.64609
_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
Ho1 Ho 0.37503 0.62497 0.37527 1.00000
Ho2 Ho 0.62497 0.37503 0.62473 1.00000
Ho3 Ho 0.20828 0.79172 0.87483 1.00000
Ho4 Ho 0.79172 0.20828 0.12517 1.00000
Ho5 Ho 0.29167 0.70833 0.62513 1.00000
Ho6 Ho 0.70833 0.29167 0.37487 1.00000
Er1 Er 0.87513 0.12487 0.87533 1.00000
Er2 Er 0.12487 0.87513 0.12467 1.00000
Er3 Er 0.95846 0.04154 0.62540 1.00000
Er4 Er 0.04154 0.95846 0.37460 1.00000
Er5 Er 0.54173 0.45827 0.87511 1.00000
Er6 Er 0.45827 0.54173 0.12489 1.00000
P1 P 0.62453 0.37547 0.12452 1.00000
P2 P 0.37547 0.62453 0.87548 1.00000
P3 P 0.54147 0.45853 0.37439 1.00000
P4 P 0.45853 0.54147 0.62561 1.00000
P5 P 0.29164 0.70836 0.12501 1.00000
P6 P 0.70836 0.29164 0.87499 1.00000
P7 P 0.79218 0.20782 0.62555 1.00000
P8 P 0.20782 0.79218 0.37445 1.00000
P9 P 0.04139 0.95861 0.87506 1.00000
P10 P 0.95861 0.04139 0.12494 1.00000
P11 P 0.12448 0.87552 0.62437 1.00000
P12 P 0.87552 0.12448 0.37563 1.00000
