Ce2Y3PaP6
Alexandria ALEXAlex-ID: agm033906500 · 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_201_spg12
Ce2PaP3 Y5PaP6 CeP
2025-01-24 23:22:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033906500).
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}
}
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# CIF generated by HEAS from Alexandria entry agm033906500
data_agm033906500
_cell_length_a 9.01721
_cell_length_b 9.01721
_cell_length_c 8.05467
_cell_angle_alpha 76.83968
_cell_angle_beta 103.16032
_cell_angle_gamma 154.18418
_cell_volume 277.31773
_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 0.83262 0.16738 0.66963 1.00000
Ce2 Ce 0.16738 0.83262 0.33037 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.83255 0.16745 0.16364 1.00000
Y3 Y 0.16745 0.83255 0.83636 1.00000
Pa1 Pa 0.50000 0.50000 0.50000 1.00000
P1 P 0.33672 0.66328 0.41588 1.00000
P2 P 0.66633 0.33367 0.08169 1.00000
P3 P 0.66328 0.33672 0.58412 1.00000
P4 P 0.99915 0.00085 0.25520 1.00000
P5 P 0.00085 0.99915 0.74480 1.00000
P6 P 0.33367 0.66633 0.91831 1.00000
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