V3Ir2Pt
Alexandria ALEXAlex-ID: agm003435233 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_898_spg74
V3IrPt2 VIr
2022-02-15 05:19:59.866179
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003435233).
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 agm003435233
data_agm003435233
_cell_length_a 3.87379
_cell_length_b 7.18534
_cell_length_c 7.18534
_cell_angle_alpha 108.23745
_cell_angle_beta 105.62774
_cell_angle_gamma 105.62774
_cell_volume 168.70118
_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 0.99219 0.15690 0.32735 1.00000
V2 V 0.49219 0.32735 0.15690 1.00000
V3 V 0.00000 0.50000 0.00000 1.00000
V4 V 0.00781 0.84310 0.67265 1.00000
V5 V 0.50000 0.00000 0.50000 1.00000
V6 V 0.50781 0.67265 0.84310 1.00000
Ir1 Ir 0.25000 0.91570 0.08430 1.00000
Ir2 Ir 0.25000 0.25243 0.74757 1.00000
Ir3 Ir 0.75000 0.08430 0.91570 1.00000
Ir4 Ir 0.75000 0.74757 0.25243 1.00000
Pt1 Pt 0.25000 0.58216 0.41784 1.00000
Pt2 Pt 0.75000 0.41784 0.58216 1.00000
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