La2Pm3YAs6
Alexandria ALEXAlex-ID: agm044169396 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
PmAs LaAs YAs
2025-02-22 07:52:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044169396).
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 agm044169396
data_agm044169396
_cell_length_a 7.39019
_cell_length_b 7.39019
_cell_length_c 7.39403
_cell_angle_alpha 80.40855
_cell_angle_beta 99.59145
_cell_angle_gamma 60.00015
_cell_volume 329.73287
_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 0.33375 0.33375 0.50000 1.00000
La2 La 0.66625 0.66625 0.50000 1.00000
Pm1 Pm 0.16775 0.16775 0.00000 1.00000
Pm2 Pm 0.83225 0.83225 0.00000 1.00000
Pm3 Pm 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.00000 0.00000 0.50000 1.00000
As1 As 0.41057 0.91623 0.75157 1.00000
As2 As 0.24232 0.75768 0.24735 1.00000
As3 As 0.58943 0.08377 0.24843 1.00000
As4 As 0.08377 0.58943 0.75157 1.00000
As5 As 0.75768 0.24232 0.75265 1.00000
As6 As 0.91623 0.41057 0.24843 1.00000
Get direct link