Pr2Tm2Cd2C
Alexandria ALEXAlex-ID: agm017255693 · 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
AB2C2D2_13_spg12
Tm2C PrCd
2025-04-17 16:06:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017255693).
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 agm017255693
data_agm017255693
_cell_length_a 7.93095
_cell_length_b 7.93095
_cell_length_c 6.99012
_cell_angle_alpha 70.57137
_cell_angle_beta 109.42863
_cell_angle_gamma 153.82257
_cell_volume 182.30402
_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
Pr1 Pr 0.81913 0.18087 0.84798 1.00000
Pr2 Pr 0.18087 0.81913 0.15202 1.00000
Tm1 Tm 0.50374 0.49626 0.76982 1.00000
Tm2 Tm 0.49626 0.50374 0.23018 1.00000
Cd1 Cd 0.86529 0.13471 0.39913 1.00000
Cd2 Cd 0.13471 0.86529 0.60087 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
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