Pm6Ho5Sc2
Alexandria ALEXAlex-ID: agm005657801 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C6_111_spg55
Pm3Ho5 Pm Sc
2023-06-20 22:41:56.019675
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657801).
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 agm005657801
data_agm005657801
_cell_length_a 3.57282
_cell_length_b 11.42199
_cell_length_c 20.31605
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 829.07151
_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 0.16839 0.38222 1.00000
Pm2 Pm 0.00000 0.83161 0.61778 1.00000
Pm3 Pm 0.00000 0.66839 0.11778 1.00000
Pm4 Pm 0.00000 0.33161 0.88222 1.00000
Pm5 Pm 0.50000 0.41893 0.15558 1.00000
Pm6 Pm 0.50000 0.58107 0.84442 1.00000
Pm7 Pm 0.50000 0.91893 0.34442 1.00000
Pm8 Pm 0.50000 0.08107 0.65558 1.00000
Pm9 Pm 0.00000 0.71577 0.44574 1.00000
Pm10 Pm 0.00000 0.28423 0.55426 1.00000
Pm11 Pm 0.00000 0.21577 0.05426 1.00000
Pm12 Pm 0.00000 0.78423 0.94574 1.00000
Ho1 Ho 0.50000 0.44257 0.42120 1.00000
Ho2 Ho 0.50000 0.55743 0.57880 1.00000
Ho3 Ho 0.50000 0.94257 0.07880 1.00000
Ho4 Ho 0.50000 0.05743 0.92120 1.00000
Ho5 Ho 0.50000 0.64507 0.27920 1.00000
Ho6 Ho 0.50000 0.35493 0.72080 1.00000
Ho7 Ho 0.50000 0.14507 0.22080 1.00000
Ho8 Ho 0.50000 0.85493 0.77920 1.00000
Ho9 Ho 0.50000 0.50000 0.00000 1.00000
Ho10 Ho 0.50000 0.00000 0.50000 1.00000
Sc1 Sc 0.00000 0.38694 0.28767 1.00000
Sc2 Sc 0.00000 0.61306 0.71233 1.00000
Sc3 Sc 0.00000 0.88694 0.21233 1.00000
Sc4 Sc 0.00000 0.11306 0.78767 1.00000
