Tb3Cu4(As2O)2
Alexandria ALEXAlex-ID: agm008632550 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4D4_3_spg139
TbCuAs2 Tb2O3 As Cu
2024-05-12 16:57:11.140701
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008632550).
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 agm008632550
data_agm008632550
_cell_length_a 14.33831
_cell_length_b 14.33831
_cell_length_c 14.33831
_cell_angle_alpha 164.15050
_cell_angle_beta 164.15050
_cell_angle_gamma 22.48723
_cell_volume 219.83262
_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
Tb1 Tb 0.71041 0.71041 0.00000 1.00000
Tb2 Tb 0.28959 0.28959 0.00000 1.00000
Tb3 Tb 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.39974 0.89974 0.50000 1.00000
Cu2 Cu 0.60026 0.10026 0.50000 1.00000
Cu3 Cu 0.89974 0.39974 0.50000 1.00000
Cu4 Cu 0.10026 0.60026 0.50000 1.00000
As1 As 0.54632 0.54632 0.00000 1.00000
As2 As 0.45368 0.45368 0.00000 1.00000
As3 As 0.84934 0.84934 0.00000 1.00000
As4 As 0.15066 0.15066 0.00000 1.00000
O1 O 0.25000 0.75000 0.50000 1.00000
O2 O 0.75000 0.25000 0.50000 1.00000
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