Pm3As2I
Alexandria ALEXAlex-ID: agm034607902 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
Pm6As5I Pm2AsI2 Pm
2025-04-13 12:47:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034607902).
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 agm034607902
data_agm034607902
_cell_length_a 14.27091
_cell_length_b 13.60981
_cell_length_c 7.54022
_cell_angle_alpha 79.21011
_cell_angle_beta 69.52325
_cell_angle_gamma 31.26665
_cell_volume 692.99327
_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
Pm1 Pm 0.67601 0.17130 0.79020 1.00000
Pm2 Pm 0.17130 0.67601 0.36250 1.00000
Pm3 Pm 0.57399 0.07870 0.45980 1.00000
Pm4 Pm 0.07870 0.57399 0.88750 1.00000
Pm5 Pm 0.53640 0.96360 0.96360 1.00000
Pm6 Pm 0.96360 0.53640 0.53640 1.00000
Pm7 Pm 0.88750 0.45980 0.07870 1.00000
Pm8 Pm 0.45980 0.88750 0.57399 1.00000
Pm9 Pm 0.36250 0.79020 0.17130 1.00000
Pm10 Pm 0.79020 0.36250 0.67601 1.00000
Pm11 Pm 0.71360 0.28640 0.28640 1.00000
Pm12 Pm 0.28640 0.71360 0.71360 1.00000
As1 As 0.00466 0.00466 0.49534 1.00000
As2 As 0.41222 0.41222 0.58778 1.00000
As3 As 0.83778 0.83778 0.66222 1.00000
As4 As 0.24534 0.24534 0.75466 1.00000
As5 As 0.75466 0.75466 0.24534 1.00000
As6 As 0.66222 0.66222 0.83778 1.00000
As7 As 0.58778 0.58778 0.41222 1.00000
As8 As 0.49534 0.49534 0.00466 1.00000
I1 I 0.91747 0.91747 0.08253 1.00000
I2 I 0.33253 0.33253 0.16747 1.00000
I3 I 0.16747 0.16747 0.33253 1.00000
I4 I 0.08253 0.08253 0.91747 1.00000
