ZrIn
Alexandria ALEXAlex-ID: agm005445596 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1692_spg8
ZrIn
2023-03-22 03:48:03.044931
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005445596).
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 agm005445596
data_agm005445596
_cell_length_a 6.02595
_cell_length_b 6.02595
_cell_length_c 7.50178
_cell_angle_alpha 73.13568
_cell_angle_beta 73.13568
_cell_angle_gamma 31.96805
_cell_volume 137.50026
_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
Zr1 Zr 0.32023 0.32023 0.35552 1.00000
Zr2 Zr 0.95207 0.95207 0.59096 1.00000
Zr3 Zr 0.29119 0.29119 0.92799 1.00000
In1 In 0.99242 0.99242 0.01118 1.00000
In2 In 0.66416 0.66416 0.68752 1.00000
In3 In 0.61326 0.61326 0.26016 1.00000
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