PmHo2Th3
Alexandria ALEXAlex-ID: agm005679198 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_845_spg15
HoTh Pm Th
2023-08-24 06:21:48.504042
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679198).
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 agm005679198
data_agm005679198
_cell_length_a 6.20335
_cell_length_b 7.12387
_cell_length_c 9.44858
_cell_angle_alpha 112.14680
_cell_angle_beta 90.05694
_cell_angle_gamma 90.00000
_cell_volume 386.74360
_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 0.75000 0.86902 0.00000 1.00000
Pm2 Pm 0.25000 0.13098 1.00000 1.00000
Ho1 Ho 0.58346 0.95732 0.66174 1.00000
Ho2 Ho 0.08346 0.70441 0.66174 1.00000
Ho3 Ho 0.91654 0.29559 0.33826 1.00000
Ho4 Ho 0.41654 0.04268 0.33826 1.00000
Th1 Th 0.25000 0.62004 0.00000 1.00000
Th2 Th 0.75000 0.37996 1.00000 1.00000
Th3 Th 0.91879 0.78646 0.33264 1.00000
Th4 Th 0.58121 0.45383 0.66736 1.00000
Th5 Th 0.41879 0.54617 0.33264 1.00000
Th6 Th 0.08121 0.21354 0.66736 1.00000
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