CeSb2H2Pt7
Alexandria ALEXAlex-ID: agm006554303 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_289_spg2
Ce(HPt)3 CePt5 Sb2Pt3 H3Pt
2024-02-27 04:21:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006554303).
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 agm006554303
data_agm006554303
_cell_length_a 4.28087
_cell_length_b 4.64334
_cell_length_c 10.20224
_cell_angle_alpha 88.38916
_cell_angle_beta 81.48785
_cell_angle_gamma 78.63346
_cell_volume 196.62748
_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 0.50000 0.50000 0.00000 1.00000
Sb1 Sb 0.35001 0.34631 0.40055 1.00000
Sb2 Sb 0.64999 0.65369 0.59945 1.00000
H1 H 0.13217 0.27299 0.87165 1.00000
H2 H 0.86783 0.72701 0.12835 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Pt2 Pt 0.94377 0.87769 0.38319 1.00000
Pt3 Pt 0.05623 0.12231 0.61681 1.00000
Pt4 Pt 0.45835 0.96637 0.18975 1.00000
Pt5 Pt 0.90150 0.39628 0.21880 1.00000
Pt6 Pt 0.09850 0.60372 0.78120 1.00000
Pt7 Pt 0.54165 0.03363 0.81025 1.00000
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