La3(Pm2Sc)2
Alexandria ALEXAlex-ID: agm005643204 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1067_spg12
LaPm Pm Sc
2023-06-30 21:15:03.299095
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643204).
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 agm005643204
data_agm005643204
_cell_length_a 6.24249
_cell_length_b 6.24406
_cell_length_c 10.73041
_cell_angle_alpha 107.47886
_cell_angle_beta 72.52774
_cell_angle_gamma 131.75787
_cell_volume 294.63181
_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 0.32943 0.67080 0.55424 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.67057 0.32920 0.44576 1.00000
Pm1 Pm 0.66773 0.33196 0.10913 1.00000
Pm2 Pm 0.99478 0.00535 0.67139 1.00000
Pm3 Pm 0.00522 0.99465 0.32861 1.00000
Pm4 Pm 0.33227 0.66804 0.89087 1.00000
Sc1 Sc 0.33505 0.66478 0.21956 1.00000
Sc2 Sc 0.66495 0.33522 0.78044 1.00000
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