PmGe(H4Pt)2
Alexandria ALEXAlex-ID: agm007474666 · 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
ABC2D8_22_spg2
Pm(H3Pt)4 GeH8 PmH5Pt GePt
2025-05-27 07:43:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007474666).
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 agm007474666
data_agm007474666
_cell_length_a 4.40688
_cell_length_b 4.60416
_cell_length_c 7.39132
_cell_angle_alpha 64.49653
_cell_angle_beta 71.20788
_cell_angle_gamma 60.92141
_cell_volume 117.07797
_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
Pm1 Pm 0.00000 0.50000 0.50000 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
H1 H 0.52780 0.07554 0.36469 1.00000
H2 H 0.22166 0.46503 0.10169 1.00000
H3 H 0.47220 0.92446 0.63531 1.00000
H4 H 0.77834 0.53497 0.89831 1.00000
H5 H 0.00500 0.89745 0.66264 1.00000
H6 H 0.99500 0.10255 0.33736 1.00000
H7 H 0.44441 0.42289 0.68847 1.00000
H8 H 0.55559 0.57711 0.31153 1.00000
Pt1 Pt 0.61077 0.97811 0.79743 1.00000
Pt2 Pt 0.38923 0.02189 0.20257 1.00000
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