La2TbAs3
Alexandria ALEXAlex-ID: agm005653698 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
TbAs LaAs
2023-08-07 04:35:51.332306
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653698).
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 agm005653698
data_agm005653698
_cell_length_a 4.30686
_cell_length_b 4.30689
_cell_length_c 9.60728
_cell_angle_alpha 102.95686
_cell_angle_beta 102.95490
_cell_angle_gamma 89.98434
_cell_volume 169.01476
_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
La1 La 0.09968 0.10096 0.20476 1.00000
La2 La 0.76888 0.77017 0.54316 1.00000
Tb1 Tb 0.43413 0.43588 0.87396 1.00000
As1 As 0.93409 0.93594 0.87396 1.00000
As2 As 0.27124 0.27253 0.54784 1.00000
As3 As 0.59735 0.59863 0.20007 1.00000
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