Rb2CrTe2
Alexandria ALEXAlex-ID: agm005962987 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1646_spg72
Rb2(CrTe2)3 Rb2Te Cr
2023-08-03 14:52:55.403910
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962987).
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 agm005962987
data_agm005962987
_cell_length_a 7.14287
_cell_length_b 7.64406
_cell_length_c 9.10067
_cell_angle_alpha 114.83284
_cell_angle_beta 113.10621
_cell_angle_gamma 90.00000
_cell_volume 406.61502
_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 0.85659 0.68348 0.71319 1.00000
Rb2 Rb 0.14341 0.31652 0.28681 1.00000
Rb3 Rb 0.64341 0.97029 0.28681 1.00000
Rb4 Rb 0.35659 0.02971 0.71319 1.00000
Cr1 Cr 0.75000 0.50000 0.00000 1.00000
Cr2 Cr 0.25000 0.50000 0.00000 1.00000
Te1 Te 0.39526 0.57529 0.79052 1.00000
Te2 Te 0.60474 0.42471 0.20948 1.00000
Te3 Te 0.10474 0.78476 0.20948 1.00000
Te4 Te 0.89526 0.21524 0.79052 1.00000
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