Pm7IrSe5
Alexandria ALEXAlex-ID: agm006077181 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_117_spg36
Pm8IrSe7 Pm5Ir2 PmSe
2023-08-09 13:12:50.578995
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006077181).
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 agm006077181
data_agm006077181
_cell_length_a 4.05870
_cell_length_b 7.23409
_cell_length_c 25.04651
_cell_angle_alpha 89.99265
_cell_angle_beta 90.00000
_cell_angle_gamma 106.29157
_cell_volume 705.86201
_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 0.45427 0.90854 0.24913 1.00000
Pm2 Pm 0.54634 0.09268 0.74918 1.00000
Pm3 Pm 0.64974 0.29948 0.03836 1.00000
Pm4 Pm 0.37044 0.74088 0.96478 1.00000
Pm5 Pm 0.35075 0.70150 0.53835 1.00000
Pm6 Pm 0.63011 0.26023 0.46466 1.00000
Pm7 Pm 0.21283 0.42566 0.18134 1.00000
Pm8 Pm 0.80374 0.60748 0.81788 1.00000
Pm9 Pm 0.78756 0.57511 0.68129 1.00000
Pm10 Pm 0.19706 0.39412 0.31789 1.00000
Pm11 Pm 0.92697 0.85394 0.10779 1.00000
Pm12 Pm 0.10157 0.20314 0.87936 1.00000
Pm13 Pm 0.07337 0.14675 0.60777 1.00000
Pm14 Pm 0.89925 0.79851 0.37936 1.00000
Ir1 Ir 0.81046 0.62091 0.26151 1.00000
Ir2 Ir 0.19017 0.38035 0.76161 1.00000
Se1 Se 0.01374 0.02747 0.99659 1.00000
Se2 Se 0.73120 0.46241 0.92831 1.00000
Se3 Se 0.28838 0.57677 0.07292 1.00000
Se4 Se 0.54874 0.09748 0.35649 1.00000
Se5 Se 0.43518 0.87037 0.64559 1.00000
Se6 Se 0.98680 0.97361 0.49653 1.00000
Se7 Se 0.26949 0.53898 0.42829 1.00000
Se8 Se 0.71199 0.42398 0.57285 1.00000
Se9 Se 0.45202 0.90403 0.85662 1.00000
Se10 Se 0.56522 0.13044 0.14556 1.00000
