V4Ge2Ir
Alexandria ALEXAlex-ID: agm003457553 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_907_spg5
VGeIr V3Ir V5Ge3
2022-02-20 06:42:30.817136
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003457553).
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 agm003457553
data_agm003457553
_cell_length_a 6.53273
_cell_length_b 6.41614
_cell_length_c 6.41634
_cell_angle_alpha 99.72009
_cell_angle_beta 114.51443
_cell_angle_gamma 113.65206
_cell_volume 205.20314
_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 0.03097 0.35163 0.45341 1.00000
V2 V 0.39088 0.57186 0.33596 1.00000
V3 V 0.85958 0.69571 0.68131 1.00000
V4 V 0.73770 0.06442 0.66809 1.00000
V5 V 0.37082 0.95099 0.19578 1.00000
V6 V 0.21938 0.17265 0.82049 1.00000
V7 V 0.51202 0.68014 0.82705 1.00000
V8 V 0.87864 0.57468 0.08030 1.00000
Ge1 Ge 0.45138 0.29032 0.56544 1.00000
Ge2 Ge 0.79896 0.86454 0.33900 1.00000
Ge3 Ge 0.62494 0.13175 0.00699 1.00000
Ge4 Ge 0.12457 0.51048 0.88567 1.00000
Ir1 Ir 0.22847 0.83041 0.53856 1.00000
Ir2 Ir 0.02169 0.06040 0.10195 1.00000
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