Pm5Ho2Th3
Alexandria ALEXAlex-ID: agm005604044 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_182_spg12
HoTh Pm Th
2023-06-25 01:54:02.264665
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604044).
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 agm005604044
data_agm005604044
_cell_length_a 5.07935
_cell_length_b 6.24434
_cell_length_c 13.00064
_cell_angle_alpha 61.26469
_cell_angle_beta 78.73481
_cell_angle_gamma 66.00125
_cell_volume 330.30820
_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
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pm2 Pm 0.19888 0.00283 0.59941 1.00000
Pm3 Pm 0.80112 0.99717 0.40059 1.00000
Pm4 Pm 0.69858 0.50031 0.10253 1.00000
Pm5 Pm 0.30142 0.49969 0.89747 1.00000
Ho1 Ho 0.40234 0.99015 0.20517 1.00000
Ho2 Ho 0.59766 0.00985 0.79483 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Th2 Th 0.09804 0.50259 0.30132 1.00000
Th3 Th 0.90196 0.49741 0.69868 1.00000
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