Pm3Pr(HoSe3)2
Alexandria ALEXAlex-ID: agm034207215 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_598_spg1
Pm3PrSe4 Pr2Ho3Se5 Pm3HoSe4
2025-02-28 19:36:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034207215).
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 agm034207215
data_agm034207215
_cell_length_a 9.29684
_cell_length_b 9.29684
_cell_length_c 8.37450
_cell_angle_alpha 77.19078
_cell_angle_beta 102.80922
_cell_angle_gamma 154.25446
_cell_volume 306.16982
_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 0.50000 0.50000 0.00000 1.00000
Pm2 Pm 0.83919 0.16081 0.66684 1.00000
Pm3 Pm 0.16081 0.83919 0.33316 1.00000
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.83525 0.16475 0.16871 1.00000
Ho2 Ho 0.16475 0.83525 0.83129 1.00000
Se1 Se 0.32895 0.67105 0.40465 1.00000
Se2 Se 0.67053 0.32947 0.07722 1.00000
Se3 Se 0.67105 0.32895 0.59535 1.00000
Se4 Se 0.00526 0.99474 0.75673 1.00000
Se5 Se 0.99474 0.00526 0.24327 1.00000
Se6 Se 0.32947 0.67053 0.92278 1.00000
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