SrHgP2
Alexandria ALEXAlex-ID: agm005509372 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7341_spg154
SrP2 Hg
2023-04-24 19:57:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005509372).
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
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# CIF generated by HEAS from Alexandria entry agm005509372
data_agm005509372
_cell_length_a 6.14288
_cell_length_b 5.79471
_cell_length_c 10.49051
_cell_angle_alpha 95.37120
_cell_angle_beta 87.98657
_cell_angle_gamma 122.28715
_cell_volume 314.24968
_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
Sr1 Sr 0.25483 0.04049 0.16532 1.00000
Sr2 Sr 0.99613 0.26588 0.83830 1.00000
Sr3 Sr 0.70176 0.68109 0.49494 1.00000
Hg1 Hg 0.41376 0.00655 0.66742 1.00000
Hg2 Hg 0.11271 0.51290 0.33676 1.00000
Hg3 Hg 0.61117 0.59574 0.99629 1.00000
P1 P 0.63495 0.80723 0.21568 1.00000
P2 P 0.20159 0.88311 0.87649 1.00000
P3 P 0.12431 0.28287 0.53640 1.00000
P4 P 0.80850 0.64716 0.78309 1.00000
P5 P 0.83367 0.21587 0.13816 1.00000
P6 P 0.30662 0.06111 0.45136 1.00000
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