PmHo7Sc3
Alexandria ALEXAlex-ID: agm005986007 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_224_spg12
Pm2Ho7 PmHo8 Sc
2023-08-14 00:12:51.993580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005986007).
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 agm005986007
data_agm005986007
_cell_length_a 9.61104
_cell_length_b 9.61104
_cell_length_c 12.89704
_cell_angle_alpha 79.39498
_cell_angle_beta 79.39498
_cell_angle_gamma 139.28188
_cell_volume 659.50889
_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 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.09528 0.91221 0.25030 1.00000
Ho2 Ho 0.08779 0.90472 0.74970 1.00000
Ho3 Ho 0.12187 0.44792 0.46274 1.00000
Ho4 Ho 0.12275 0.44878 0.96309 1.00000
Ho5 Ho 0.55122 0.87725 0.03690 1.00000
Ho6 Ho 0.55208 0.87813 0.53726 1.00000
Ho7 Ho 0.49506 0.49506 0.75051 1.00000
Ho8 Ho 0.50494 0.50494 0.24949 1.00000
Ho9 Ho 0.44878 0.12275 0.96310 1.00000
Ho10 Ho 0.44792 0.12187 0.46274 1.00000
Ho11 Ho 0.87725 0.55122 0.03691 1.00000
Ho12 Ho 0.87813 0.55208 0.53726 1.00000
Ho13 Ho 0.91221 0.09528 0.25030 1.00000
Ho14 Ho 0.90472 0.08779 0.74970 1.00000
Sc1 Sc 0.00003 0.49762 0.75008 1.00000
Sc2 Sc 0.00000 0.00000 0.00000 1.00000
Sc3 Sc 0.00000 0.00000 0.50000 1.00000
Sc4 Sc 0.50238 0.99997 0.24992 1.00000
Sc5 Sc 0.49762 0.00003 0.75008 1.00000
Sc6 Sc 0.99997 0.50238 0.24992 1.00000
