CePrF7
Alexandria ALEXAlex-ID: agm024226167 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
Ce3PrF15 PrF3
2024-11-09 19:49:59.499258
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024226167).
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 agm024226167
data_agm024226167
_cell_length_a 6.20670
_cell_length_b 6.45021
_cell_length_c 8.77557
_cell_angle_alpha 76.90535
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 342.19019
_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
Ce1 Ce 0.70359 0.18525 0.72556 1.00000
Ce2 Ce 0.20359 0.81475 0.27444 1.00000
Pr1 Pr 0.70202 0.34868 0.18773 1.00000
Pr2 Pr 0.20202 0.65132 0.81227 1.00000
F1 F 0.94225 0.50844 0.99568 1.00000
F2 F 0.44225 0.49156 0.00432 1.00000
F3 F 0.44254 0.06806 0.25661 1.00000
F4 F 0.94254 0.93194 0.74339 1.00000
F5 F 0.96493 0.06968 0.25424 1.00000
F6 F 0.46493 0.93032 0.74576 1.00000
F7 F 0.94897 0.57584 0.29397 1.00000
F8 F 0.44897 0.42416 0.70603 1.00000
F9 F 0.70186 0.22621 0.47385 1.00000
F10 F 0.20186 0.77379 0.52615 1.00000
F11 F 0.70372 0.14072 0.97741 1.00000
F12 F 0.20372 0.85928 0.02259 1.00000
F13 F 0.46649 0.58389 0.29404 1.00000
F14 F 0.96649 0.41611 0.70596 1.00000
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