GeH7Ir2
Alexandria ALEXAlex-ID: agm006193530 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_902_spg1
Ir H2 GeIr
2024-02-07 01:43:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006193530).
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
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# CIF generated by HEAS from Alexandria entry agm006193530
data_agm006193530
_cell_length_a 4.09834
_cell_length_b 4.47230
_cell_length_c 7.40000
_cell_angle_alpha 126.08528
_cell_angle_beta 75.10928
_cell_angle_gamma 116.31970
_cell_volume 98.24744
_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
H1 H 0.80327 0.76495 0.32617 1.00000
H2 H 0.36509 0.93536 0.69358 1.00000
H3 H 0.48075 0.58234 0.72397 1.00000
H4 H 0.83785 0.24086 0.35819 1.00000
H5 H 0.36085 0.82112 0.37791 1.00000
H6 H 0.45821 0.10531 0.19559 1.00000
H7 H 0.99799 0.55117 0.72887 1.00000
Ge1 Ge 0.99781 0.35647 0.98503 1.00000
Ir1 Ir 0.31560 0.91297 0.90808 1.00000
Ir2 Ir 0.61496 0.78684 0.17077 1.00000
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