Pm3Ho8Er3
Alexandria ALEXAlex-ID: agm005694559 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_31_spg71
Pm2Ho5Er2 HoEr5 Pm2Ho7
2023-06-29 11:10:59.558062
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694559).
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 agm005694559
data_agm005694559
_cell_length_a 5.61528
_cell_length_b 9.61472
_cell_length_c 9.61508
_cell_angle_alpha 101.75567
_cell_angle_beta 73.03873
_cell_angle_gamma 73.03748
_cell_volume 450.63877
_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 0.00000 0.00000 1.00000
Pm2 Pm 0.00000 0.81769 0.18231 1.00000
Pm3 Pm 1.00000 0.18231 0.81769 1.00000
Ho1 Ho 0.65982 0.11904 0.56087 1.00000
Ho2 Ho 0.34018 0.88096 0.43913 1.00000
Ho3 Ho 0.65981 0.56088 0.11903 1.00000
Ho4 Ho 0.34019 0.43912 0.88097 1.00000
Ho5 Ho 0.84224 0.76064 0.55514 1.00000
Ho6 Ho 0.15776 0.23936 0.44486 1.00000
Ho7 Ho 0.84224 0.55513 0.76065 1.00000
Ho8 Ho 0.15776 0.44487 0.23935 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.79560 0.20439 0.20438 1.00000
Er3 Er 0.20440 0.79561 0.79562 1.00000
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