LaPm8Er5
Alexandria ALEXAlex-ID: agm006111589 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
PmEr2 LaPm Pm
2023-08-11 05:02:01.325138
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006111589).
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 agm006111589
data_agm006111589
_cell_length_a 8.54857
_cell_length_b 8.54857
_cell_length_c 8.54857
_cell_angle_alpha 111.91478
_cell_angle_beta 104.68740
_cell_angle_gamma 111.91480
_cell_volume 478.41787
_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 0.25000 0.50000 0.75000 1.00000
Pm1 Pm 0.16394 0.73550 0.07431 1.00000
Pm2 Pm 0.92569 0.08963 0.66119 1.00000
Pm3 Pm 0.71944 0.25327 0.32419 1.00000
Pm4 Pm 0.67581 0.39525 0.92908 1.00000
Pm5 Pm 0.53383 0.60475 0.28056 1.00000
Pm6 Pm 0.57156 0.91037 0.83606 1.00000
Pm7 Pm 0.33881 0.26450 0.42844 1.00000
Pm8 Pm 0.07092 0.74673 0.46617 1.00000
Er1 Er 0.04066 0.31703 0.13343 1.00000
Er2 Er 0.86657 0.90723 0.18360 1.00000
Er3 Er 0.81640 0.68297 0.72363 1.00000
Er4 Er 0.50000 0.00000 0.50000 1.00000
Er5 Er 0.27637 0.09277 0.95934 1.00000
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