AcZr2SbO8
Alexandria ALEXAlex-ID: agm004904166 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_742_spg12
AcZrSbO6 ZrO2
2023-01-06 16:03:09.270871
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004904166).
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 agm004904166
data_agm004904166
_cell_length_a 5.01164
_cell_length_b 5.00900
_cell_length_c 6.88806
_cell_angle_alpha 89.94734
_cell_angle_beta 89.94684
_cell_angle_gamma 88.11889
_cell_volume 172.81980
_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
Ac1 Ac 0.00000 0.00000 0.50000 1.00000
Zr1 Zr 0.49925 0.49924 0.75679 1.00000
Zr2 Zr 0.50075 0.50076 0.24321 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
O1 O 0.20119 0.79722 0.20626 1.00000
O2 O 0.70785 0.70880 0.00013 1.00000
O3 O 0.79834 0.20233 0.20626 1.00000
O4 O 0.79881 0.20278 0.79374 1.00000
O5 O 0.29215 0.29120 0.99987 1.00000
O6 O 0.20166 0.79767 0.79374 1.00000
O7 O 0.66744 0.66951 0.49951 1.00000
O8 O 0.33256 0.33049 0.50049 1.00000
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