Zr15Mo4
Alexandria ALEXAlex-ID: agm073025713 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B15_2_spg220
ZrMo2 Zr
2024-10-20 06:41:17
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073025713).
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 agm073025713
data_agm073025713
_cell_length_a 10.18854
_cell_length_b 10.18854
_cell_length_c 10.18854
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 814.16785
_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 0.87332 0.92223 0.72074 1.00000
Zr2 Zr 0.25000 0.12500 0.87500 1.00000
Zr3 Zr 0.57777 0.45109 0.79851 1.00000
Zr4 Zr 0.45109 0.79851 0.57777 1.00000
Zr5 Zr 0.15258 0.77926 0.70149 1.00000
Zr6 Zr 0.54891 0.84742 0.12668 1.00000
Zr7 Zr 0.62668 0.34742 0.04891 1.00000
Zr8 Zr 0.29851 0.95109 0.07777 1.00000
Zr9 Zr 0.84742 0.12668 0.54891 1.00000
Zr10 Zr 0.34742 0.04891 0.62668 1.00000
Zr11 Zr 0.72074 0.87332 0.92223 1.00000
Zr12 Zr 0.37332 0.22074 0.42223 1.00000
Zr13 Zr 0.12500 0.87500 0.25000 1.00000
Zr14 Zr 0.92223 0.72074 0.87332 1.00000
Zr15 Zr 0.37500 0.62500 0.75000 1.00000
Zr16 Zr 0.20149 0.27926 0.65258 1.00000
Zr17 Zr 0.27926 0.65258 0.20149 1.00000
Zr18 Zr 0.65258 0.20149 0.27926 1.00000
Zr19 Zr 0.42223 0.37332 0.22074 1.00000
Zr20 Zr 0.87500 0.25000 0.12500 1.00000
Zr21 Zr 0.77926 0.70149 0.15258 1.00000
Zr22 Zr 0.70149 0.15258 0.77926 1.00000
Zr23 Zr 0.07777 0.29851 0.95109 1.00000
Zr24 Zr 0.04891 0.62668 0.34742 1.00000
Zr25 Zr 0.22074 0.42223 0.37332 1.00000
Zr26 Zr 0.79851 0.57777 0.45109 1.00000
Zr27 Zr 0.12668 0.54891 0.84742 1.00000
Zr28 Zr 0.75000 0.37500 0.62500 1.00000
Zr29 Zr 0.95109 0.07777 0.29851 1.00000
Zr30 Zr 0.62500 0.75000 0.37500 1.00000
Mo1 Mo 0.59745 0.59745 0.59745 1.00000
Mo2 Mo 0.90255 0.50000 0.00000 1.00000
Mo3 Mo 0.09745 0.09745 0.09745 1.00000
Mo4 Mo 0.00000 0.40255 0.50000 1.00000
Mo5 Mo 0.00000 0.90255 0.50000 1.00000
Mo6 Mo 0.40255 0.50000 0.00000 1.00000
Mo7 Mo 0.50000 0.00000 0.40255 1.00000
Mo8 Mo 0.50000 0.00000 0.90255 1.00000
