Ca2Tb(CeP2)3
Alexandria ALEXAlex-ID: agm033100241 · 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
Tb2CeP3 CaCeP2 CeP
2025-03-07 06:18:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033100241).
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 agm033100241
data_agm033100241
_cell_length_a 9.17066
_cell_length_b 9.17066
_cell_length_c 8.17175
_cell_angle_alpha 76.95664
_cell_angle_beta 103.04336
_cell_angle_gamma 154.08813
_cell_volume 292.15689
_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
Ca1 Ca 0.16685 0.83315 0.33399 1.00000
Ca2 Ca 0.83315 0.16685 0.66601 1.00000
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.83255 0.16745 0.17417 1.00000
Ce3 Ce 0.16745 0.83255 0.82583 1.00000
P1 P 0.33671 0.66329 0.41052 1.00000
P2 P 0.33376 0.66624 0.93072 1.00000
P3 P 0.66329 0.33671 0.58948 1.00000
P4 P 0.00300 0.99700 0.75272 1.00000
P5 P 0.99700 0.00300 0.24728 1.00000
P6 P 0.66624 0.33376 0.06928 1.00000
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