Rb3TaTe4
Alexandria ALEXAlex-ID: agm012636747 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_19_spg62
Rb3TaTe4
2025-01-29 06:41:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012636747).
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 agm012636747
data_agm012636747
_cell_length_a 10.73375
_cell_length_b 10.75564
_cell_length_c 12.32268
_cell_angle_alpha 90.00000
_cell_angle_beta 90.23034
_cell_angle_gamma 90.00000
_cell_volume 1422.62135
_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 0.86947 0.40910 0.74578 1.00000
Rb2 Rb 0.63053 0.90910 0.25422 1.00000
Rb3 Rb 0.13053 0.59090 0.25422 1.00000
Rb4 Rb 0.36947 0.09090 0.74578 1.00000
Rb5 Rb 0.44661 0.29503 0.04589 1.00000
Rb6 Rb 0.94941 0.20357 0.45223 1.00000
Rb7 Rb 0.05339 0.79503 0.95411 1.00000
Rb8 Rb 0.55059 0.70357 0.54777 1.00000
Rb9 Rb 0.55339 0.70497 0.95411 1.00000
Rb10 Rb 0.05059 0.79643 0.54777 1.00000
Rb11 Rb 0.94661 0.20497 0.04589 1.00000
Rb12 Rb 0.44941 0.29643 0.45223 1.00000
Ta1 Ta 0.71497 0.48355 0.25088 1.00000
Ta2 Ta 0.21497 0.01645 0.25088 1.00000
Ta3 Ta 0.78503 0.98355 0.74912 1.00000
Ta4 Ta 0.28503 0.51645 0.74912 1.00000
Te1 Te 0.83590 0.55304 0.07663 1.00000
Te2 Te 0.16695 0.44984 0.57154 1.00000
Te3 Te 0.33305 0.94984 0.42846 1.00000
Te4 Te 0.66410 0.05304 0.92337 1.00000
Te5 Te 0.51020 0.41867 0.75040 1.00000
Te6 Te 0.01020 0.08133 0.75040 1.00000
Te7 Te 0.98980 0.91867 0.24960 1.00000
Te8 Te 0.48980 0.58133 0.24960 1.00000
Te9 Te 0.30378 0.75964 0.75107 1.00000
Te10 Te 0.80378 0.74036 0.75107 1.00000
Te11 Te 0.19622 0.25964 0.24893 1.00000
Te12 Te 0.69622 0.24036 0.24893 1.00000
Te13 Te 0.16410 0.44696 0.92337 1.00000
Te14 Te 0.66695 0.05016 0.57154 1.00000
Te15 Te 0.33590 0.94696 0.07663 1.00000
Te16 Te 0.83305 0.55016 0.42846 1.00000
