Rb3GaAs5
Alexandria ALEXAlex-ID: agm072531735 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1334_spg6
Rb2GaAs2 Rb3As7 GaAs
2024-09-24 09:53:40.268076
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072531735).
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 agm072531735
data_agm072531735
_cell_length_a 4.40328
_cell_length_b 9.14381
_cell_length_c 11.57020
_cell_angle_alpha 57.83029
_cell_angle_beta 89.99645
_cell_angle_gamma 89.98669
_cell_volume 394.32830
_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 0.61128 0.62261 0.08267 1.00000
Rb2 Rb 0.11104 0.99064 0.43036 1.00000
Rb3 Rb 0.11152 0.38915 0.67464 1.00000
Ga1 Ga 0.61056 0.99801 0.67353 1.00000
As1 As 0.11079 0.93256 0.81029 1.00000
As2 As 0.11113 0.65653 0.81452 1.00000
As3 As 0.11127 0.39470 0.35442 1.00000
As4 As 0.61124 0.31322 0.47869 1.00000
As5 As 0.61117 0.70257 0.68089 1.00000
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