TmH4Pt
Alexandria ALEXAlex-ID: agm007365261 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_263_spg4
TmH3Pt Tm(H3Pt)4 TmH3
2025-05-26 23:26:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007365261).
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 agm007365261
data_agm007365261
_cell_length_a 3.66039
_cell_length_b 5.18760
_cell_length_c 6.24893
_cell_angle_alpha 90.00000
_cell_angle_beta 107.01989
_cell_angle_gamma 90.00000
_cell_volume 113.46163
_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
Tm1 Tm 0.83916 0.68661 0.67834 1.00000
Tm2 Tm 0.16084 0.18661 0.32166 1.00000
H1 H 0.68214 0.91900 0.36413 1.00000
H2 H 0.31786 0.41900 0.63587 1.00000
H3 H 0.73255 0.33247 0.46487 1.00000
H4 H 0.26745 0.83247 0.53513 1.00000
H5 H 0.95413 0.29430 0.90838 1.00000
H6 H 0.04587 0.79430 0.09162 1.00000
H7 H 0.41401 0.97254 0.82783 1.00000
H8 H 0.58599 0.47254 0.17217 1.00000
Pt1 Pt 0.54558 0.79808 0.09115 1.00000
Pt2 Pt 0.45442 0.29808 0.90885 1.00000
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