La4CeTm3Bi8
Alexandria ALEXAlex-ID: agm045579552 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_63_spg12
La4CeBi5 TmBi
2024-12-05 09:47:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045579552).
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 agm045579552
data_agm045579552
_cell_length_a 9.17841
_cell_length_b 9.17841
_cell_length_c 9.17841
_cell_angle_alpha 60.13355
_cell_angle_beta 60.13355
_cell_angle_gamma 60.13355
_cell_volume 548.40229
_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 0.50000 0.50000 0.50000 1.00000
La2 La 0.00000 0.00000 0.50000 1.00000
La3 La 0.00000 0.50000 0.00000 1.00000
La4 La 0.50000 0.00000 0.00000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Tm1 Tm 0.50000 0.00000 0.50000 1.00000
Tm2 Tm 0.00000 0.50000 0.50000 1.00000
Tm3 Tm 0.50000 0.50000 0.00000 1.00000
Bi1 Bi 0.74172 0.24752 0.24752 1.00000
Bi2 Bi 0.24752 0.74172 0.24752 1.00000
Bi3 Bi 0.25530 0.25530 0.25530 1.00000
Bi4 Bi 0.24752 0.24752 0.74172 1.00000
Bi5 Bi 0.75248 0.75248 0.25828 1.00000
Bi6 Bi 0.74470 0.74470 0.74470 1.00000
Bi7 Bi 0.75248 0.25828 0.75248 1.00000
Bi8 Bi 0.25828 0.75248 0.75248 1.00000
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