As4Pt7Rh3
Alexandria ALEXAlex-ID: agm009805147 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_113_spg12
As2Pt Pt AsRh2
2024-03-22 08:57:21.849911
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009805147).
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 agm009805147
data_agm009805147
_cell_length_a 5.48456
_cell_length_b 6.33704
_cell_length_c 7.69353
_cell_angle_alpha 71.23330
_cell_angle_beta 69.16061
_cell_angle_gamma 81.76422
_cell_volume 236.49159
_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
As1 As 0.65561 0.37215 0.18555 1.00000
As2 As 0.34439 0.62785 0.81445 1.00000
As3 As 0.89718 0.76419 0.34243 1.00000
As4 As 0.10282 0.23581 0.65757 1.00000
Pt1 Pt 0.27106 0.61475 0.51616 1.00000
Pt2 Pt 0.50068 0.00175 0.74621 1.00000
Pt3 Pt 0.87532 0.68638 0.86414 1.00000
Pt4 Pt 0.72894 0.38525 0.48384 1.00000
Pt5 Pt 0.12468 0.31362 0.13586 1.00000
Pt6 Pt 0.00000 0.00000 0.00000 1.00000
Pt7 Pt 0.49932 0.99825 0.25379 1.00000
Rh1 Rh 0.36355 0.68760 0.12563 1.00000
Rh2 Rh 0.63645 0.31240 0.87437 1.00000
Rh3 Rh 0.00000 0.00000 0.50000 1.00000
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