LaPm3(HoEr3)2
Alexandria ALEXAlex-ID: agm004656396 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_178_spg12
LaHo2 PmEr2
2022-07-02 03:08:05.031159
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004656396).
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 agm004656396
data_agm004656396
_cell_length_a 6.18357
_cell_length_b 6.18357
_cell_length_c 11.77158
_cell_angle_alpha 95.00761
_cell_angle_beta 95.00761
_cell_angle_gamma 119.97975
_cell_volume 383.89737
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Pm1 Pm 0.16701 0.83299 0.50000 1.00000
Pm2 Pm 0.83299 0.16701 0.50000 1.00000
Pm3 Pm 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.33328 0.66672 0.00000 1.00000
Ho2 Ho 0.66672 0.33328 0.00000 1.00000
Er1 Er 0.91643 0.58186 0.75045 1.00000
Er2 Er 0.74884 0.74884 0.24965 1.00000
Er3 Er 0.08357 0.41814 0.24955 1.00000
Er4 Er 0.58186 0.91643 0.75045 1.00000
Er5 Er 0.25116 0.25116 0.75035 1.00000
Er6 Er 0.41814 0.08357 0.24955 1.00000
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