Pm2Sm2HoEr4
Alexandria ALEXAlex-ID: agm004562011 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_214_spg12
PmSm3Ho4 PmSm2 Pm2SmEr6 Pm3SmHo4
2022-06-19 19:36:34.906187
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004562011).
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 agm004562011
data_agm004562011
_cell_length_a 3.59786
_cell_length_b 9.50948
_cell_length_c 9.57068
_cell_angle_alpha 115.28055
_cell_angle_beta 90.00000
_cell_angle_gamma 100.90450
_cell_volume 289.53653
_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 0.33465 0.66930 0.99828 1.00000
Pm2 Pm 0.66535 0.33070 0.00172 1.00000
Sm1 Sm 0.85279 0.70558 0.33698 1.00000
Sm2 Sm 0.14721 0.29442 0.66302 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.81518 0.63035 0.66422 1.00000
Er2 Er 0.18482 0.36965 0.33578 1.00000
Er3 Er 0.51937 0.03873 0.33233 1.00000
Er4 Er 0.48063 0.96127 0.66767 1.00000
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