Dy2P7Ir12
Alexandria ALEXAlex-ID: agm005674535 · Space group: P-3 (#147)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C12_16_spg147
Dy6P13Ir20 PIr2
2023-06-21 08:20:37.379232
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674535).
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 agm005674535
data_agm005674535
_cell_length_a 3.95790
_cell_length_b 9.60883
_cell_length_c 9.60882
_cell_angle_alpha 119.99995
_cell_angle_beta 90.00001
_cell_angle_gamma 89.99999
_cell_volume 316.47276
_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
Dy1 Dy 0.24841 0.33333 0.66667 1.00000
Dy2 Dy 0.75159 0.66667 0.33333 1.00000
P1 P 0.50000 0.00000 0.00000 1.00000
P2 P 0.24563 0.87479 0.28289 1.00000
P3 P 0.24563 0.40810 0.12521 1.00000
P4 P 0.24563 0.71711 0.59190 1.00000
P5 P 0.75437 0.12521 0.71711 1.00000
P6 P 0.75437 0.59190 0.87479 1.00000
P7 P 0.75437 0.28289 0.40810 1.00000
Ir1 Ir 0.25285 0.61556 0.07049 1.00000
Ir2 Ir 0.25285 0.45493 0.38444 1.00000
Ir3 Ir 0.25285 0.92951 0.54507 1.00000
Ir4 Ir 0.74715 0.38444 0.92951 1.00000
Ir5 Ir 0.74715 0.54507 0.61556 1.00000
Ir6 Ir 0.74715 0.07049 0.45493 1.00000
Ir7 Ir 0.24042 0.10587 0.26312 1.00000
Ir8 Ir 0.24042 0.15725 0.89413 1.00000
Ir9 Ir 0.24042 0.73688 0.84275 1.00000
Ir10 Ir 0.75958 0.89413 0.73688 1.00000
Ir11 Ir 0.75958 0.84275 0.10587 1.00000
Ir12 Ir 0.75958 0.26312 0.15725 1.00000
