Zr2Mo2Os
Alexandria ALEXAlex-ID: agm014160495 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_542_spg71
ZrMo2 ZrOs
2025-04-14 00:57:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014160495).
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 agm014160495
data_agm014160495
_cell_length_a 3.25676
_cell_length_b 3.25676
_cell_length_c 8.66868
_cell_angle_alpha 79.21149
_cell_angle_beta 100.78851
_cell_angle_gamma 89.95996
_cell_volume 88.66197
_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 0.40124 0.59876 0.80235 1.00000
Zr2 Zr 0.59876 0.40124 0.19765 1.00000
Mo1 Mo 0.20729 0.79271 0.41424 1.00000
Mo2 Mo 0.79271 0.20729 0.58576 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
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