LaPm2Er4Sc
Alexandria ALEXAlex-ID: agm004862836 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_268_spg115
PmEr2 LaPm Sc LaEr2
2022-07-20 04:08:17.270438
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004862836).
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 agm004862836
data_agm004862836
_cell_length_a 5.79556
_cell_length_b 9.51454
_cell_length_c 5.80546
_cell_angle_alpha 52.38117
_cell_angle_beta 89.99956
_cell_angle_gamma 89.99949
_cell_volume 253.56784
_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 0.50000 0.50000 1.00000 1.00000
Pm1 Pm 0.00000 0.00000 1.00000 1.00000
Pm2 Pm 0.50000 0.00000 0.50000 1.00000
Er1 Er 0.00000 0.74544 0.75484 1.00000
Er2 Er 1.00000 0.25456 0.24516 1.00000
Er3 Er 0.50000 0.74565 0.25427 1.00000
Er4 Er 0.50000 0.25435 0.74573 1.00000
Sc1 Sc 0.00000 0.49999 0.50000 1.00000
Get direct link