Pa2InAu4
Alexandria ALEXAlex-ID: agm006014202 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_118_spg166
PaInAu2 PaAu2
2023-09-30 19:57:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014202).
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 agm006014202
data_agm006014202
_cell_length_a 4.92777
_cell_length_b 4.92777
_cell_length_c 8.44476
_cell_angle_alpha 73.03622
_cell_angle_beta 73.03623
_cell_angle_gamma 59.99987
_cell_volume 167.20762
_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
Pa1 Pa 0.74859 0.74859 0.75424 1.00000
Pa2 Pa 0.25141 0.25141 0.24576 1.00000
Au1 Au 0.87222 0.87222 0.38335 1.00000
Au2 Au 0.12778 0.12778 0.61665 1.00000
Au3 Au 0.61761 0.61761 0.14716 1.00000
Au4 Au 0.38239 0.38239 0.85284 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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