La2Tm3Pb4
Alexandria ALEXAlex-ID: agm005685207 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_763_spg14
La2Tm3Pb4
2023-06-27 07:41:01.479350
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685207).
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 agm005685207
data_agm005685207
_cell_length_a 8.25755
_cell_length_b 8.46508
_cell_length_c 8.43743
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 111.33377
_cell_volume 549.36962
_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 0.55743 0.19207 0.32142 1.00000
La2 La 0.94257 0.80793 0.82142 1.00000
La3 La 0.44257 0.80793 0.67858 1.00000
La4 La 0.05743 0.19207 0.17858 1.00000
Tm1 Tm 0.00000 0.50000 0.50000 1.00000
Tm2 Tm 0.50000 0.50000 0.00000 1.00000
Tm3 Tm 0.74088 0.24682 0.84325 1.00000
Tm4 Tm 0.75912 0.75318 0.34325 1.00000
Tm5 Tm 0.25912 0.75318 0.15675 1.00000
Tm6 Tm 0.24088 0.24682 0.65675 1.00000
Pb1 Pb 0.83714 0.08784 0.54481 1.00000
Pb2 Pb 0.66286 0.91216 0.04481 1.00000
Pb3 Pb 0.16286 0.91216 0.45519 1.00000
Pb4 Pb 0.33714 0.08784 0.95519 1.00000
Pb5 Pb 0.85926 0.49620 0.14052 1.00000
Pb6 Pb 0.64074 0.50380 0.64052 1.00000
Pb7 Pb 0.14074 0.50380 0.85948 1.00000
Pb8 Pb 0.35926 0.49620 0.35948 1.00000
Get direct link