ErAs(H4Os)2
Alexandria ALEXAlex-ID: agm007612938 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_1159_spg2
AsH9 ErH5Os As2Os Os
2025-05-27 21:36:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007612938).
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 agm007612938
data_agm007612938
_cell_length_a 4.29848
_cell_length_b 5.60506
_cell_length_c 5.66350
_cell_angle_alpha 63.57434
_cell_angle_beta 67.60244
_cell_angle_gamma 67.23863
_cell_volume 109.01521
_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
Er1 Er 0.00000 0.50000 0.50000 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
H1 H 0.49660 0.34062 0.66918 1.00000
H2 H 0.91883 0.17804 0.40288 1.00000
H3 H 0.50340 0.65938 0.33082 1.00000
H4 H 0.49424 0.17232 0.40779 1.00000
H5 H 0.50576 0.82768 0.59221 1.00000
H6 H 0.25579 0.35753 0.12310 1.00000
H7 H 0.74421 0.64247 0.87690 1.00000
H8 H 0.08117 0.82196 0.59712 1.00000
Os1 Os 0.64631 0.99465 0.72198 1.00000
Os2 Os 0.35369 0.00535 0.27802 1.00000
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