Ir7W
Alexandria ALEXAlex-ID: agm007901403 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7_21_spg12
Ir8W Ir3W
2024-03-19 06:13:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007901403).
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 agm007901403
data_agm007901403
_cell_length_a 4.75758
_cell_length_b 4.75758
_cell_length_c 7.77199
_cell_angle_alpha 65.97300
_cell_angle_beta 65.97300
_cell_angle_gamma 48.28861
_cell_volume 117.52445
_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
Ir1 Ir 0.25159 0.25159 0.12382 1.00000
Ir2 Ir 0.49859 0.49859 0.24704 1.00000
Ir3 Ir 0.75264 0.75264 0.37231 1.00000
Ir4 Ir 0.00000 0.00000 0.50000 1.00000
Ir5 Ir 0.24736 0.24736 0.62769 1.00000
Ir6 Ir 0.50141 0.50141 0.75296 1.00000
Ir7 Ir 0.74841 0.74841 0.87618 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
Get direct link