Er3TlRh
Alexandria ALEXAlex-ID: agm005802285 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6628_spg12
Er4TlRh Er2TlRh
2023-07-08 02:51:08.510798
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802285).
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 agm005802285
data_agm005802285
_cell_length_a 5.80498
_cell_length_b 5.80498
_cell_length_c 8.79017
_cell_angle_alpha 102.06124
_cell_angle_beta 102.05487
_cell_angle_gamma 111.50686
_cell_volume 255.89437
_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
Er1 Er 0.29933 0.79933 0.09867 1.00000
Er2 Er 0.70067 0.20067 0.90133 1.00000
Er3 Er 0.07296 0.20007 0.27326 1.00000
Er4 Er 0.92704 0.79993 0.72674 1.00000
Er5 Er 0.70004 0.57305 0.27332 1.00000
Er6 Er 0.29996 0.42695 0.72668 1.00000
Tl1 Tl 0.71729 0.21729 0.50009 1.00000
Tl2 Tl 0.28271 0.78271 0.49991 1.00000
Rh1 Rh 0.25008 0.24995 0.00000 1.00000
Rh2 Rh 0.74992 0.75005 1.00000 1.00000
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