PmSm4Hg7
Alexandria ALEXAlex-ID: agm003669748 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Sm3Hg4 Pm3Hg5
2022-04-20 13:10:09.791125
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669748).
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}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003669748
data_agm003669748
_cell_length_a 5.64469
_cell_length_b 9.86759
_cell_length_c 7.03427
_cell_angle_alpha 81.88664
_cell_angle_beta 66.34505
_cell_angle_gamma 73.38007
_cell_volume 343.73653
_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 0.00000 0.00000 1.00000
Sm1 Sm 0.58161 0.22294 0.61384 1.00000
Sm2 Sm 0.41839 0.77706 0.38616 1.00000
Sm3 Sm 0.74104 0.67168 0.84625 1.00000
Sm4 Sm 0.25896 0.32832 0.15375 1.00000
Hg1 Hg 0.79326 0.91260 0.50088 1.00000
Hg2 Hg 0.20674 0.08740 0.49912 1.00000
Hg3 Hg 0.07430 0.66794 0.18345 1.00000
Hg4 Hg 0.92570 0.33206 0.81655 1.00000
Hg5 Hg 0.36142 0.53804 0.73911 1.00000
Hg6 Hg 0.50000 0.00000 0.00000 1.00000
Hg7 Hg 0.63858 0.46196 0.26089 1.00000
Get direct link