Rb10HfInAs6
Alexandria ALEXAlex-ID: agm022425351 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6D10_3_spg7
Rb10HfInAs6
2024-09-26 12:36:29.573263
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022425351).
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 agm022425351
data_agm022425351
_cell_length_a 8.86061
_cell_length_b 9.53091
_cell_length_c 18.44100
_cell_angle_alpha 60.28529
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1352.55398
_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
Rb1 Rb 0.74006 0.09522 0.58340 1.00000
Rb2 Rb 0.25994 0.09522 0.08340 1.00000
Rb3 Rb 0.76218 0.91066 0.40951 1.00000
Rb4 Rb 0.23782 0.91066 0.90951 1.00000
Rb5 Rb 0.57047 0.83918 0.24542 1.00000
Rb6 Rb 0.42953 0.83918 0.74542 1.00000
Rb7 Rb 0.91593 0.15813 0.75969 1.00000
Rb8 Rb 0.08407 0.15813 0.25969 1.00000
Rb9 Rb 0.72831 0.45422 0.25210 1.00000
Rb10 Rb 0.27169 0.45422 0.75210 1.00000
Rb11 Rb 0.77874 0.55002 0.75373 1.00000
Rb12 Rb 0.22126 0.55002 0.25373 1.00000
Rb13 Rb 0.09237 0.84117 0.58093 1.00000
Rb14 Rb 0.90763 0.84117 0.08093 1.00000
Rb15 Rb 0.40952 0.15809 0.41746 1.00000
Rb16 Rb 0.59048 0.15809 0.91746 1.00000
Rb17 Rb 0.24442 0.71003 0.42918 1.00000
Rb18 Rb 0.75558 0.71003 0.92918 1.00000
Rb19 Rb 0.22028 0.26362 0.58106 1.00000
Rb20 Rb 0.77972 0.26362 0.08106 1.00000
Hf1 Hf 0.62202 0.49603 0.57383 1.00000
Hf2 Hf 0.37798 0.49603 0.07383 1.00000
In1 In 0.87471 0.50941 0.42078 1.00000
In2 In 0.12529 0.50941 0.92078 1.00000
As1 As 0.92095 0.51946 0.56820 1.00000
As2 As 0.07905 0.51946 0.06820 1.00000
As3 As 0.55721 0.48073 0.43751 1.00000
As4 As 0.44279 0.48073 0.93751 1.00000
As5 As 0.95560 0.79305 0.27939 1.00000
As6 As 0.04440 0.79305 0.77939 1.00000
As7 As 0.53730 0.23303 0.70929 1.00000
As8 As 0.46270 0.23303 0.20929 1.00000
As9 As 0.00106 0.24203 0.42241 1.00000
As10 As 0.99894 0.24203 0.92241 1.00000
As11 As 0.49834 0.74590 0.57611 1.00000
As12 As 0.50166 0.74590 0.07611 1.00000
