Ho2Er3TmP6
Alexandria ALEXAlex-ID: agm034188611 · 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_401_spg1
HoEr3P4 ErTmP2 Ho3ErP4
2024-11-30 07:50:33.507460
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034188611).
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 agm034188611
data_agm034188611
_cell_length_a 8.87713
_cell_length_b 8.87713
_cell_length_c 7.94233
_cell_angle_alpha 77.07609
_cell_angle_beta 102.92391
_cell_angle_gamma 154.14934
_cell_volume 265.61930
_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 0.83354 0.16646 0.66709 1.00000
Ho2 Ho 0.16646 0.83354 0.33291 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.83324 0.16676 0.16663 1.00000
Er3 Er 0.16676 0.83324 0.83337 1.00000
Tm1 Tm 0.50000 0.50000 0.00000 1.00000
P1 P 0.33372 0.66628 0.91787 1.00000
P2 P 0.66640 0.33360 0.58385 1.00000
P3 P 0.66628 0.33372 0.08213 1.00000
P4 P 0.99963 0.00037 0.24890 1.00000
P5 P 0.00037 0.99963 0.75110 1.00000
P6 P 0.33360 0.66640 0.41615 1.00000
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