LaTh5P6
Alexandria ALEXAlex-ID: agm006128643 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_83_spg12
LaTh4P5 ThP
2023-09-03 14:50:53.942704
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006128643).
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 agm006128643
data_agm006128643
_cell_length_a 7.20816
_cell_length_b 7.20346
_cell_length_c 7.20459
_cell_angle_alpha 60.00521
_cell_angle_beta 80.41132
_cell_angle_gamma 70.53687
_cell_volume 305.47366
_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
P1 P 0.74673 0.08451 0.33784 1.00000
P2 P 0.25327 0.57765 0.33784 1.00000
P3 P 0.25157 0.25403 0.00000 1.00000
P4 P 0.74843 0.74597 1.00000 1.00000
P5 P 0.74673 0.42235 0.66216 1.00000
P6 P 0.25327 0.91549 0.66216 1.00000
Th1 Th 0.50000 0.16503 0.66994 1.00000
Th2 Th 1.00000 0.33328 0.33345 1.00000
Th3 Th 0.50000 0.50000 0.00000 1.00000
Th4 Th 0.00000 0.66672 0.66655 1.00000
Th5 Th 0.50000 0.83497 0.33006 1.00000
La1 La 0.00000 0.00000 0.00000 1.00000
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