InCo(H4Pd)2
Alexandria ALEXAlex-ID: agm007306520 · 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_189_spg12
InHPd3 CoH InPd H2
2025-05-28 03:43:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007306520).
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 agm007306520
data_agm007306520
_cell_length_a 4.74302
_cell_length_b 4.85936
_cell_length_c 5.09212
_cell_angle_alpha 79.65236
_cell_angle_beta 93.00773
_cell_angle_gamma 73.62245
_cell_volume 110.10693
_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
In1 In 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
H1 H 0.29801 0.02097 0.16632 1.00000
H2 H 0.95229 0.70241 0.17157 1.00000
H3 H 0.67712 0.24543 0.03727 1.00000
H4 H 0.70199 0.97903 0.83368 1.00000
H5 H 0.04771 0.29759 0.82843 1.00000
H6 H 0.32288 0.75457 0.96273 1.00000
H7 H 0.53360 0.52357 0.56893 1.00000
H8 H 0.46640 0.47643 0.43107 1.00000
Pd1 Pd 0.71251 0.61308 0.86766 1.00000
Pd2 Pd 0.28749 0.38692 0.13234 1.00000
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