Er3TlPb2
Alexandria ALEXAlex-ID: agm005751275 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_315_spg62
Er5Pb4 Er5Pb3 ErTl3
2023-08-17 21:19:03.617313
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751275).
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 agm005751275
data_agm005751275
_cell_length_a 4.71807
_cell_length_b 11.35078
_cell_length_c 12.76180
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 683.44275
_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
Er1 Er 0.25000 0.37818 0.02494 1.00000
Er2 Er 0.75000 0.62182 0.97506 1.00000
Er3 Er 0.75000 0.87818 0.47506 1.00000
Er4 Er 0.25000 0.12182 0.52494 1.00000
Er5 Er 0.25000 0.67290 0.18950 1.00000
Er6 Er 0.75000 0.32710 0.81050 1.00000
Er7 Er 0.75000 0.17290 0.31050 1.00000
Er8 Er 0.25000 0.82710 0.68950 1.00000
Er9 Er 0.25000 0.41866 0.35551 1.00000
Er10 Er 0.75000 0.58134 0.64449 1.00000
Er11 Er 0.75000 0.91866 0.14449 1.00000
Er12 Er 0.25000 0.08134 0.85551 1.00000
Tl1 Tl 0.25000 0.15707 0.16226 1.00000
Tl2 Tl 0.75000 0.84293 0.83774 1.00000
Tl3 Tl 0.75000 0.65707 0.33774 1.00000
Tl4 Tl 0.25000 0.34293 0.66226 1.00000
Pb1 Pb 0.25000 0.66269 0.49608 1.00000
Pb2 Pb 0.75000 0.33731 0.50392 1.00000
Pb3 Pb 0.75000 0.16269 0.00392 1.00000
Pb4 Pb 0.25000 0.83731 0.99608 1.00000
Pb5 Pb 0.25000 0.95111 0.32133 1.00000
Pb6 Pb 0.75000 0.04889 0.67867 1.00000
Pb7 Pb 0.75000 0.45111 0.17867 1.00000
Pb8 Pb 0.25000 0.54889 0.82133 1.00000
