TbPm(AsO4)2
Alexandria ALEXAlex-ID: agm004889044 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_848_spg82
PmAsO4 TbAsO4
2023-01-01 22:25:10.118586
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004889044).
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 agm004889044
data_agm004889044
_cell_length_a 5.10459
_cell_length_b 5.10459
_cell_length_c 6.79733
_cell_angle_alpha 112.05427
_cell_angle_beta 112.05427
_cell_angle_gamma 90.00000
_cell_volume 150.08195
_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
Tb1 Tb 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.75000 0.25000 0.50000 1.00000
As1 As 0.50000 0.50000 0.00000 1.00000
As2 As 0.25000 0.75000 0.50000 1.00000
O1 O 0.72501 0.82748 0.15450 1.00000
O2 O 0.42950 0.32703 0.15450 1.00000
O3 O 0.58017 0.68910 0.65931 1.00000
O4 O 0.07914 0.97021 0.65931 1.00000
O5 O 0.02979 0.41983 0.34069 1.00000
O6 O 0.31090 0.92086 0.34069 1.00000
O7 O 0.17252 0.57050 0.84550 1.00000
O8 O 0.67297 0.27499 0.84550 1.00000
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