SrMo
Alexandria ALEXAlex-ID: agm004454331 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_2420_spg70
Mo Sr
2022-05-30 13:02:11.191855
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004454331).
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 agm004454331
data_agm004454331
_cell_length_a 6.17636
_cell_length_b 15.11824
_cell_length_c 9.84178
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 918.98195
_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
Sr1 Sr 0.00000 0.00000 0.66645 1.00000
Sr2 Sr 0.00000 0.00000 0.33355 1.00000
Sr3 Sr 0.25000 0.75000 0.58355 1.00000
Sr4 Sr 0.25000 0.75000 0.91645 1.00000
Sr5 Sr 0.00000 0.50000 0.16645 1.00000
Sr6 Sr 0.00000 0.50000 0.83355 1.00000
Sr7 Sr 0.25000 0.25000 0.08355 1.00000
Sr8 Sr 0.25000 0.25000 0.41645 1.00000
Sr9 Sr 0.50000 0.00000 0.16645 1.00000
Sr10 Sr 0.50000 0.00000 0.83355 1.00000
Sr11 Sr 0.75000 0.75000 0.08355 1.00000
Sr12 Sr 0.75000 0.75000 0.41645 1.00000
Sr13 Sr 0.50000 0.50000 0.66645 1.00000
Sr14 Sr 0.50000 0.50000 0.33355 1.00000
Sr15 Sr 0.75000 0.25000 0.58355 1.00000
Sr16 Sr 0.75000 0.25000 0.91645 1.00000
Mo1 Mo 0.00000 0.07089 0.00000 1.00000
Mo2 Mo 0.00000 0.92911 0.00000 1.00000
Mo3 Mo 0.25000 0.67911 0.25000 1.00000
Mo4 Mo 0.25000 0.82089 0.25000 1.00000
Mo5 Mo 0.00000 0.57089 0.50000 1.00000
Mo6 Mo 0.00000 0.42911 0.50000 1.00000
Mo7 Mo 0.25000 0.17911 0.75000 1.00000
Mo8 Mo 0.25000 0.32089 0.75000 1.00000
Mo9 Mo 0.50000 0.07089 0.50000 1.00000
Mo10 Mo 0.50000 0.92911 0.50000 1.00000
Mo11 Mo 0.75000 0.67911 0.75000 1.00000
Mo12 Mo 0.75000 0.82089 0.75000 1.00000
Mo13 Mo 0.50000 0.57089 0.00000 1.00000
Mo14 Mo 0.50000 0.42911 0.00000 1.00000
Mo15 Mo 0.75000 0.17911 0.25000 1.00000
Mo16 Mo 0.75000 0.32089 0.25000 1.00000
