Pr4HoEr
Alexandria ALEXAlex-ID: agm003738121 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1187_spg166
PrHoEr Pr
2022-04-18 21:32:32.788742
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003738121).
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 agm003738121
data_agm003738121
_cell_length_a 6.03617
_cell_length_b 6.40044
_cell_length_c 7.01856
_cell_angle_alpha 92.15983
_cell_angle_beta 64.53151
_cell_angle_gamma 61.86546
_cell_volume 205.79820
_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
Pr1 Pr 0.65192 0.68368 0.01249 1.00000
Pr2 Pr 0.34808 0.31632 0.98751 1.00000
Pr3 Pr 0.15080 0.18080 0.51761 1.00000
Pr4 Pr 0.84920 0.81920 0.48239 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
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