Na8PrHg4
Alexandria ALEXAlex-ID: agm098108326 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1245_spg38
NaPr3Hg4 Na8Hg3 Na
2025-06-17 00:14:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098108326).
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 agm098108326
data_agm098108326
_cell_length_a 5.30589
_cell_length_b 8.60516
_cell_length_c 10.06413
_cell_angle_alpha 57.04414
_cell_angle_beta 89.99155
_cell_angle_gamma 89.97654
_cell_volume 385.56881
_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
Na1 Na 0.72984 0.08010 0.35467 1.00000
Na2 Na 0.73148 0.51816 0.14518 1.00000
Na3 Na 0.23085 0.58405 0.65059 1.00000
Na4 Na 0.73039 0.22990 0.62096 1.00000
Na5 Na 0.23020 0.99877 0.22351 1.00000
Na6 Na 0.23091 0.50594 0.34741 1.00000
Na7 Na 0.73090 0.30898 0.91734 1.00000
Na8 Na 0.73078 0.77107 0.73673 1.00000
Pr1 Pr 0.23077 0.90940 0.90812 1.00000
Hg1 Hg 0.73076 0.89495 0.09323 1.00000
Hg2 Hg 0.23158 0.48579 0.00314 1.00000
Hg3 Hg 0.73123 0.66102 0.45157 1.00000
Hg4 Hg 0.23029 0.05187 0.54754 1.00000
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