RbY3Te5
Alexandria ALEXAlex-ID: agm012500352 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_71_spg62
RbY3Te5
2024-12-23 11:33:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012500352).
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 agm012500352
data_agm012500352
_cell_length_a 4.41394
_cell_length_b 13.19839
_cell_length_c 23.53582
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1371.12365
_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 0.75000 0.33609 0.09510 1.00000
Rb2 Rb 0.25000 0.66391 0.90490 1.00000
Rb3 Rb 0.25000 0.83609 0.40490 1.00000
Rb4 Rb 0.75000 0.16391 0.59510 1.00000
Y1 Y 0.25000 0.31091 0.83055 1.00000
Y2 Y 0.75000 0.68909 0.16945 1.00000
Y3 Y 0.75000 0.81091 0.66945 1.00000
Y4 Y 0.25000 0.18909 0.33055 1.00000
Y5 Y 0.75000 0.46819 0.70108 1.00000
Y6 Y 0.25000 0.53181 0.29892 1.00000
Y7 Y 0.25000 0.96819 0.79892 1.00000
Y8 Y 0.75000 0.03181 0.20108 1.00000
Y9 Y 0.25000 0.88756 0.05374 1.00000
Y10 Y 0.75000 0.11244 0.94626 1.00000
Y11 Y 0.75000 0.38756 0.44626 1.00000
Y12 Y 0.25000 0.61244 0.55374 1.00000
Te1 Te 0.75000 0.44891 0.57094 1.00000
Te2 Te 0.25000 0.55109 0.42906 1.00000
Te3 Te 0.25000 0.94891 0.92906 1.00000
Te4 Te 0.75000 0.05109 0.07094 1.00000
Te5 Te 0.25000 0.27411 0.95960 1.00000
Te6 Te 0.75000 0.72589 0.04040 1.00000
Te7 Te 0.75000 0.77411 0.54040 1.00000
Te8 Te 0.25000 0.22589 0.45960 1.00000
Te9 Te 0.75000 0.47043 0.83176 1.00000
Te10 Te 0.25000 0.52957 0.16824 1.00000
Te11 Te 0.25000 0.97043 0.66824 1.00000
Te12 Te 0.75000 0.02957 0.33176 1.00000
Te13 Te 0.25000 0.63900 0.68564 1.00000
Te14 Te 0.75000 0.36100 0.31436 1.00000
Te15 Te 0.75000 0.13900 0.81436 1.00000
Te16 Te 0.25000 0.86100 0.18564 1.00000
Te17 Te 0.25000 0.18913 0.20022 1.00000
Te18 Te 0.75000 0.81087 0.79978 1.00000
Te19 Te 0.75000 0.68913 0.29978 1.00000
Te20 Te 0.25000 0.31087 0.70022 1.00000
