LaPaTc
Alexandria ALEXAlex-ID: agm005679043 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_73_spg166
PaTc La
2023-06-18 13:06:04.287835
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679043).
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 agm005679043
data_agm005679043
_cell_length_a 4.44319
_cell_length_b 4.69415
_cell_length_c 9.06428
_cell_angle_alpha 105.62422
_cell_angle_beta 90.00002
_cell_angle_gamma 118.24668
_cell_volume 158.56636
_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 0.37454 0.74907 0.10088 1.00000
La2 La 0.62546 0.25093 0.89912 1.00000
Pa1 Pa 0.79071 0.58143 0.37324 1.00000
Pa2 Pa 0.20929 0.41857 0.62676 1.00000
Tc1 Tc 0.88186 0.76371 0.70295 1.00000
Tc2 Tc 0.11814 0.23629 0.29705 1.00000
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