LaPm2Th3
Alexandria ALEXAlex-ID: agm005678903 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_860_spg12
LaPm Pm LaTh4
2023-08-19 05:32:52.389270
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678903).
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 agm005678903
data_agm005678903
_cell_length_a 5.08465
_cell_length_b 8.05403
_cell_length_c 10.96819
_cell_angle_alpha 72.85243
_cell_angle_beta 76.59747
_cell_angle_gamma 71.59939
_cell_volume 402.46321
_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 0.12950 0.87825 0.86275 1.00000
La2 La 0.87050 0.12175 0.13725 1.00000
Pm1 Pm 0.46189 0.21439 0.86182 1.00000
Pm2 Pm 0.53811 0.78561 0.13818 1.00000
Pm3 Pm 0.20316 0.45614 0.13753 1.00000
Pm4 Pm 0.79684 0.54386 0.86247 1.00000
Th1 Th 0.71079 0.96024 0.61818 1.00000
Th2 Th 0.04420 0.29394 0.61767 1.00000
Th3 Th 0.37764 0.62766 0.61705 1.00000
Th4 Th 0.62236 0.37234 0.38295 1.00000
Th5 Th 0.95580 0.70606 0.38233 1.00000
Th6 Th 0.28921 0.03976 0.38182 1.00000
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