Pm4HAu8
Alexandria ALEXAlex-ID: agm097647848 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_392_spg12
PmAu2 PmH3 PmAu3
2025-06-16 02:00:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097647848).
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 agm097647848
data_agm097647848
_cell_length_a 9.41141
_cell_length_b 9.41141
_cell_length_c 3.79200
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.16412
_cell_volume 293.29582
_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 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.00000 0.50000 0.50000 1.00000
Pm3 Pm 0.00000 0.00000 0.50000 1.00000
Pm4 Pm 0.50000 0.00000 0.50000 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.33280 0.66720 0.00000 1.00000
Au2 Au 0.83604 0.66680 0.00000 1.00000
Au3 Au 0.83422 0.16578 0.00000 1.00000
Au4 Au 0.33320 0.16396 0.00000 1.00000
Au5 Au 0.66680 0.83604 0.00000 1.00000
Au6 Au 0.16578 0.83422 0.00000 1.00000
Au7 Au 0.16396 0.33320 0.00000 1.00000
Au8 Au 0.66720 0.33280 0.00000 1.00000
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