VReIr2
Alexandria ALEXAlex-ID: agm005747892 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1005_spg63
VRe Re3Ir VIr3
2023-07-13 17:22:38.585086
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005747892).
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 agm005747892
data_agm005747892
_cell_length_a 2.72959
_cell_length_b 4.35391
_cell_length_c 10.05269
_cell_angle_alpha 89.99997
_cell_angle_beta 97.80266
_cell_angle_gamma 90.00017
_cell_volume 118.36380
_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
V1 V 0.59420 0.25000 0.18840 1.00000
V2 V 0.40580 0.75000 0.81160 1.00000
Re1 Re 0.22645 0.25000 0.45290 1.00000
Re2 Re 0.77355 0.75000 0.54710 1.00000
Ir1 Ir 0.96977 0.25000 0.93955 1.00000
Ir2 Ir 0.03023 0.75000 0.06045 1.00000
Ir3 Ir 0.84469 0.25000 0.68937 1.00000
Ir4 Ir 0.15531 0.75000 0.31063 1.00000
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